Detailed information for compound 442386

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.851 | Formula: C19H14ClN3O3S
  • H donors: 3 H acceptors: 3 LogP: 3.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(O)c2c(c1)S(=O)(=O)N=C(N2)Nc1ccccc1c1ccccc1
  • InChi: 1S/C19H14ClN3O3S/c20-13-10-16(24)18-17(11-13)27(25,26)23-19(22-18)21-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11,24H,(H2,21,22,23)
  • InChiKey: ZMMHPWURJDODJF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-X-C motif) receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica protein kinase, putative 0.0249 0.2025 0.335
Echinococcus multilocularis serine threonine protein kinase 0.0249 0.2025 0.4124
Brugia malayi hypothetical protein 0.002 0.0065 0.0045
Echinococcus granulosus serine:threonine protein kinase N2 0.0249 0.2025 0.4124
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Entamoeba histolytica PH domain containing protein kinase, putative 0.0013 0 0.0001
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0249 0.2025 0.4124
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0238 0.1932 0.3196
Toxoplasma gondii AGC kinase 0.0715 0.6027 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0582 0.4882 0.4874
Brugia malayi Hr1 repeat family protein 0.0249 0.2025 0.2009
Schistosoma mansoni serine/threonine protein kinase 0.0249 0.2025 0.4124
Echinococcus granulosus twitchin 0.0026 0.0113 0.0191
Onchocerca volvulus 0.014 0.1088 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0221 0.1787 0.3634
Echinococcus granulosus nervana 2 0.0467 0.3892 0.7964
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0479 0.4003 1
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0065 0.0045
Trypanosoma cruzi Protein kinase B 0.0479 0.4003 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0249 0.2025 0.4124
Entamoeba histolytica protein kinase 2, putative 0.0477 0.3985 0.6594
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0065 0.0045
Echinococcus multilocularis tyrosine kinase 0.002 0.0065 0.0093
Echinococcus granulosus tyrosine protein kinase Src42A 0.0023 0.0089 0.0143
Schistosoma mansoni tyrosine kinase 0.0023 0.0089 0.0143
Echinococcus granulosus tyrosine protein kinase Srms 0.002 0.0065 0.0093
Trypanosoma brucei rac serine-threonine kinase, putative 0.0717 0.6044 1
Entamoeba histolytica protein kinase, putative 0.0717 0.6044 1
Trichomonas vaginalis AGC family protein kinase 0.0249 0.2025 0.335
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0023 0.0089 0.0147
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Brugia malayi Immunoglobulin I-set domain containing protein 0.0027 0.0125 0.0106
Schistosoma mansoni serine/threonine protein kinase 0.0015 0.0021 0.0002
Brugia malayi Protein kinase domain containing protein 0.002 0.0065 0.0045
Echinococcus granulosus protein kinase c iota type 0.0249 0.2025 0.4124
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0467 0.3892 0.7964
Onchocerca volvulus 0.002 0.0065 0.0526
Trichomonas vaginalis AGC family protein kinase 0.0717 0.6044 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0023 0.0089 0.0222
Onchocerca volvulus 0.002 0.0065 0.0526
Entamoeba histolytica PH domain containing protein kinase, putative 0.0479 0.4003 0.6622
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Echinococcus multilocularis tyrosine protein kinase Abl 0.01 0.0748 0.1497
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0023 0.0089 0.0143
Echinococcus multilocularis tyrosine protein kinase shark 0.002 0.0065 0.0093
Schistosoma mansoni hypothetical protein 0.014 0.1088 0.2197
Brugia malayi Protein kinase domain containing protein 0.0249 0.2025 0.2009
Echinococcus multilocularis serine:threonine protein kinase N2 0.0249 0.2025 0.4124
Loa Loa (eye worm) TK/ABL protein kinase 0.0221 0.1787 0.1771
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0023 0.0089 0.0143
Leishmania major protein kinase, putative 0.0023 0.0089 1
Schistosoma mansoni serine/threonine-protein kinase 0.0479 0.4003 0.8191
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0249 0.2025 0.201
Trichomonas vaginalis AGC family protein kinase 0.0582 0.4882 0.8077
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0065 0.0045
Schistosoma mansoni atypical protein kinase C 0.0249 0.2025 0.4124
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0249 0.2025 0.201
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0249 0.2025 0.4124
Schistosoma mansoni tyrosine kinase 0.002 0.0065 0.0093
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.0013 0 0.0001
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0065 0.0045
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0023 0.0089 0.0143
Echinococcus multilocularis nervana 2 0.0467 0.3892 0.7964
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0477 0.3985 0.9957
Trichomonas vaginalis AGC family protein kinase 0.0717 0.6044 1
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0065 0.0045
Loa Loa (eye worm) hypothetical protein 0.0015 0.002 0.0001
Echinococcus granulosus tyrosine protein kinase Blk 0.002 0.0065 0.0093
Trichomonas vaginalis AGC family protein kinase 0.0582 0.4882 0.8077
Echinococcus multilocularis tyrosine protein kinase Fyn 0.002 0.0065 0.0093
Trichomonas vaginalis AGC family protein kinase 0.0582 0.4882 0.8077
Echinococcus multilocularis tyrosine protein kinase Srms 0.002 0.0065 0.0093
Entamoeba histolytica SH2-protein kinase domain containing protein 0.002 0.0065 0.0107
Loa Loa (eye worm) hypothetical protein 0.0249 0.2025 0.201
Echinococcus granulosus NDR protein kinase 0.0249 0.2025 0.4124
Schistosoma mansoni serine/threonine protein kinase 0.0249 0.2025 0.4124
Schistosoma mansoni serine/threonine kinase 0.0249 0.2025 0.4124
Brugia malayi SH2 domain containing protein 0.002 0.0065 0.0045
Brugia malayi protein kinase C II. 0.0249 0.2025 0.2009
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0023 0.0089 0.0143
Echinococcus granulosus c src tyrosine kinase 0.0023 0.0089 0.0143
Loa Loa (eye worm) SRC-1 0.0023 0.0089 0.007
Loa Loa (eye worm) hypothetical protein 0.002 0.0065 0.0045
Entamoeba histolytica hypothetical protein 0.0013 0 0.0001
Echinococcus granulosus serine/threonine protein kinase 0.0479 0.4003 0.8191
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0019 0.0052 0.0085
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0023 0.0089 0.0143
Schistosoma mansoni tyrosine kinase 0.002 0.0065 0.0093
Plasmodium falciparum protein kinase, putative 0.0023 0.0089 0.0223
Entamoeba histolytica protein kinase, putative 0.0715 0.6027 0.9972
Trichomonas vaginalis AGC family protein kinase 0.0717 0.6044 1
Onchocerca volvulus 0.002 0.0065 0.0526
Entamoeba histolytica protein kinase, putative 0.0717 0.6044 1
Echinococcus multilocularis nervana 2 0.0467 0.3892 0.7964
Schistosoma mansoni protein kinase 0.0023 0.0089 0.0143
Brugia malayi Protein kinase domain containing protein 0.0068 0.0473 0.0454
Entamoeba histolytica protein kinase domain containing protein 0.0023 0.0089 0.0147
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0477 0.3985 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0249 0.2025 0.4124
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.002 0.0065 0.0093
Loa Loa (eye worm) hypothetical protein 0.014 0.1088 0.1071
Entamoeba histolytica protein kinase, putative 0.0013 0 0.0001
Echinococcus granulosus Glutaredoxin protein 5 0.0467 0.3892 0.7964
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0023 0.0089 0.0143
Brugia malayi Protein kinase domain containing protein 0.002 0.0065 0.0045
Echinococcus multilocularis tyrosine protein kinase Blk 0.002 0.0065 0.0093
Echinococcus multilocularis rac serine:threonine kinase 0.0479 0.4003 0.8191
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0023 0.0089 0.0147
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Onchocerca volvulus 0.002 0.0065 0.0526
Loa Loa (eye worm) hypothetical protein 0.1026 0.8693 0.8693
Entamoeba histolytica hypothetical protein 0.0013 0 0.0001
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0582 0.4882 1
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Schistosoma mansoni serine/threonine-protein kinase 0.0479 0.4003 0.8191
Echinococcus multilocularis protein kinase c epsilon type 0.0249 0.2025 0.4124
Echinococcus multilocularis c src tyrosine kinase 0.0023 0.0089 0.0143
Schistosoma mansoni serine/threonine protein kinase 0.0249 0.2025 0.4124
Entamoeba histolytica protein kinase, putative 0.0013 0 0.0001
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0065 0.0045
Schistosoma mansoni tyrosine kinase 0.0023 0.0089 0.0143
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0477 0.3985 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0221 0.1787 0.3634
Echinococcus granulosus tyrosine protein kinase Fyn 0.0023 0.0089 0.0143
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0023 0.0089 0.0143
Echinococcus granulosus tyrosine protein kinase Lyn 0.0034 0.0182 0.0334
Trichomonas vaginalis AGC family protein kinase 0.0251 0.2042 0.3378
Onchocerca volvulus 0.014 0.1088 1
Schistosoma mansoni protein kinase 0.0023 0.0089 0.0143
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0249 0.2025 0.4124
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0023 0.0089 0.0143
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.002 0.0065 0.0093
Entamoeba histolytica protein kinase, putative 0.0013 0 0.0001
Entamoeba histolytica PH domain containing protein kinase, putative 0.0013 0 0.0001
Entamoeba histolytica protein kinase, putative 0.0019 0.0052 0.0085
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Schistosoma mansoni serine/threonine protein kinase 0.0249 0.2025 0.4124
Trichomonas vaginalis AGC family protein kinase 0.0249 0.2025 0.335
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0477 0.3985 0.8156
Brugia malayi Protein kinase domain containing protein 0.002 0.0065 0.0045
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0065 0.0045
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0249 0.2025 0.4124
Brugia malayi Protein kinase domain containing protein 0.0582 0.4882 0.4872
Entamoeba histolytica PH domain containing protein kinase, putative 0.0013 0 0.0001
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0715 0.6027 0.6021
Schistosoma mansoni tyrosine kinase 0.0023 0.0089 0.0143
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Echinococcus granulosus nervana 2 0.0467 0.3892 0.7964
Loa Loa (eye worm) TK protein kinase 0.002 0.0065 0.0045
Brugia malayi Protein kinase domain containing protein 0.0249 0.2025 0.2009
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0249 0.2025 0.4124
Schistosoma mansoni hypothetical protein 0.014 0.1088 0.2197
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0582 0.4882 0.4874
Schistosoma mansoni serine/threonine protein kinase 0.0582 0.4882 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0477 0.3985 0.8156
Brugia malayi Tyrosine-protein kinase abl-1 0.01 0.0748 0.0729
Echinococcus multilocularis protein kinase c iota type 0.0249 0.2025 0.4124
Echinococcus granulosus activin receptor type 0.0023 0.0089 0.0143
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0582 0.4882 1
Brugia malayi Protein kinase domain containing protein 0.002 0.0065 0.0045
Loa Loa (eye worm) TK/ALK protein kinase 0.1178 0.9997 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0249 0.2025 0.4124
Schistosoma mansoni protein kinase 0.0023 0.0089 0.0143
Trypanosoma brucei protein kinase, putative 0.0023 0.0089 0.0147
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Giardia lamblia Kinase, AGC PKA 0.0477 0.3985 0.5
Echinococcus granulosus protein kinase C gamma type 0.0249 0.2025 0.4124
Trichomonas vaginalis AGC family protein kinase 0.0717 0.6044 1
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0065 0.0045
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.0068 0.0473 0.0933
Loa Loa (eye worm) AGC/AKT protein kinase 0.0717 0.6044 0.6038
Echinococcus multilocularis Glutaredoxin protein 5 0.0467 0.3892 0.7964
Echinococcus granulosus tyrosine kinase 0.002 0.0065 0.0093
Schistosoma mansoni serine/threonine protein kinase 0.0249 0.2025 0.4124
Schistosoma mansoni tyrosine kinase 0.0213 0.1718 0.3493
Echinococcus granulosus MAM 0.014 0.1088 0.2197
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0249 0.2025 0.4124
Echinococcus multilocularis activin receptor type 0.0023 0.0089 0.0143
Echinococcus granulosus leucine rich repeat serine:threonine protein 0.0068 0.0476 0.094
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.0013 0 0.0001
Entamoeba histolytica PH domain containing protein kinase, putative 0.0013 0 0.0001
Echinococcus granulosus tyrosine protein kinase Fyn 0.0023 0.0089 0.0143
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0027 0.0125 0.0106
Loa Loa (eye worm) hypothetical protein 0.0089 0.0654 0.0636
Loa Loa (eye worm) AGC/PKN protein kinase 0.0249 0.2025 0.201
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0023 0.0089 0.0143
Brugia malayi SRC-1 0.0023 0.0089 0.007
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0023 0.0089 0.0143
Entamoeba histolytica protein kinase, putative 0.0013 0 0.0001
Echinococcus granulosus tyrosine kinase 0.002 0.0065 0.0093
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0023 0.0089 0.0143
Trichomonas vaginalis AGC family protein kinase 0.0249 0.2025 0.335
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0023 0.0089 0.0222
Entamoeba histolytica protein kinase, putative 0.0582 0.4882 0.8077
Brugia malayi p70 ribosomal S6 kinase beta 0.0715 0.6027 0.6019
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0065 0.0045
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0023 0.0089 0.0143
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0467 0.3892 0.7964
Brugia malayi Protein kinase domain containing protein 0.0717 0.6044 0.6036
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0023 0.0089 0.0143
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0023 0.0089 0.0143
Echinococcus granulosus tyrosine protein kinase shark 0.002 0.0065 0.0093
Echinococcus granulosus tyrosine protein kinase Fyn 0.0023 0.0089 0.0143
Schistosoma mansoni serine/threonine protein kinase 0.0249 0.2025 0.4124
Schistosoma mansoni tyrosine kinase 0.0023 0.0089 0.0143
Schistosoma mansoni serine/threonine protein kinase 0.0249 0.2025 0.4124
Brugia malayi hypothetical protein 0.014 0.1088 0.107
Loa Loa (eye worm) AGC/NDR protein kinase 0.0249 0.2025 0.201
Echinococcus multilocularis MAM 0.014 0.1088 0.2197
Loa Loa (eye worm) hypothetical protein 0.014 0.1088 0.1071
Entamoeba histolytica protein kinase, putative 0.0013 0 0.0001
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0023 0.0089 0.0143
Onchocerca volvulus 0.002 0.0065 0.0526
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Echinococcus granulosus tyrosine protein kinase Src64B 0.0023 0.0089 0.0143
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0249 0.2025 0.201
Echinococcus multilocularis serine:threonine protein kinase N2 0.0249 0.2025 0.4124
Echinococcus granulosus serine threonine protein kinase nrc 0.0477 0.3985 0.8156
Brugia malayi Tyrosine-protein kinase abl-1 0.0124 0.0954 0.0936
Brugia malayi Protein kinase domain containing protein 0.002 0.0065 0.0045
Brugia malayi SH2 domain containing protein 0.002 0.0065 0.0045
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0065 0.0045
Trichomonas vaginalis AGC family protein kinase 0.0717 0.6044 1
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0023 0.0089 0.0143
Loa Loa (eye worm) TKL/LRRK protein kinase 0.0068 0.0473 0.0455
Trichomonas vaginalis AGC family protein kinase 0.0717 0.6044 1
Brugia malayi phosphoinositide-dependent protein kinase I 0.0582 0.4882 0.4872
Echinococcus granulosus protein kinase c epsilon type 0.0249 0.2025 0.4124
Trichomonas vaginalis AGC family protein kinase 0.0013 0 0.0001
Onchocerca volvulus 0.002 0.0065 0.0526
Entamoeba histolytica p21-activated kinase 0.0013 0 0.0001
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0249 0.2025 0.201
Echinococcus granulosus tyrosine protein kinase Fps85D 0.002 0.0065 0.0093
Entamoeba histolytica PH domain containing protein kinase, putative 0.0479 0.4003 0.6622
Loa Loa (eye worm) hypothetical protein 0.014 0.1088 0.1071
Brugia malayi protein-tyrosine kinase 0.002 0.0065 0.0045
Trichomonas vaginalis AGC family protein kinase 0.0717 0.6044 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.23 uM Displacement of human recombinant [125I]IL8 from CXCR2 receptor expressed in CHO cells ChEMBL. 17524641
IC50 (binding) = 0.23 uM Displacement of human recombinant [125I]IL8 from CXCR2 receptor expressed in CHO cells ChEMBL. 17524641

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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