Molecule Details
InChIKeyUBQFBYMIHFXWBF-YTCPBCGMSA-N
Compound Name(2S)-2-[[1-[[[(1R)-1-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-2-phenylethyl]-hydroxyphosphoryl]methyl]cyclopentanecarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
Canonical SMILESCS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(=O)(O)CC1(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CCCC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.58
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P12821 ACE Homo sapiens Human PF01401 8.6 IC50 ChEMBL;BindingDB
P42892 ECE1 Homo sapiens Human PF01431 PF05649 7.1 IC50 ChEMBL;BindingDB
P08473 MME Homo sapiens Human PF01431 PF05649 7.0 IC50 ChEMBL;BindingDB