Molecule Details
InChIKeyFSMMLXYBGWEIQQ-ZDERHKTGSA-N
Compound NameN-[(2S)-3-(3-bromophenyl)-1-[[(1R,2R)-1-cyano-2-phenylmethoxypropyl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide
Canonical SMILESC[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2cccnc2)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.67
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07858 CTSB Homo sapiens Human PF00112 PF08127 7.9 Ki ChEMBL;BindingDB
P07711 CTSL Homo sapiens Human PF08246 PF00112 7.7 Ki ChEMBL;BindingDB
P25774 CTSS Homo sapiens Human PF08246 PF00112 7.4 Ki ChEMBL;BindingDB