Molecule Details
InChIKeyLMBPTRXCFXWLRW-ZYIGOEBISA-N
Compound Name[(S)-1-[(S)-1-{(S)-2-Benzyloxy-1-[(S)-1-((R)-1-carbamoyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethylcarbamoyl}-2-(4-benzyloxy-phenyl)-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid benzyl ester
Canonical SMILESC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(N)=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL8.0
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P49354 FNTA Homo sapiens Human PF01239 8.0 IC50 ChEMBL;BindingDB
P49356 FNTB Homo sapiens Human PF00432 8.0 IC50 ChEMBL