Molecule Details
InChIKeyVBTIGXSUDIFYPI-GVAUOCQISA-N
Compound Name(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(4S)-2-(3-amino-3-oxopropyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]-5-(diaminomethylideneamino)pentanamide
Canonical SMILESCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(N)=O)C1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.72
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P35372 OPRM1 Homo sapiens Human PF00001 9.9 Ki ChEMBL;BindingDB
P41143 OPRD1 Homo sapiens Human PF00001 8.6 Ki ChEMBL;BindingDB
P41145 OPRK1 Homo sapiens Human PF00001 7.6 Ki ChEMBL;BindingDB