Molecule Details
InChIKeyQJZDTDUMJIUCEP-DHVYHOMASA-N
Compound Name(2R,7R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-7-(propanoylamino)octanediamide
Canonical SMILESCCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Homologous
Avg pChEMBL6.9
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P50391 NPY4R Homo sapiens Human PF00001 8.6 Ki ChEMBL;BindingDB
P25929 NPY1R Homo sapiens Human PF00001 6.5 Ki ChEMBL;BindingDB
Q15761 NPY5R Homo sapiens Human PF00001 6.4 Ki ChEMBL;BindingDB
P49146 NPY2R Homo sapiens Human PF00001 6.1 Ki ChEMBL;BindingDB