Molecule Details
InChIKeyDQDBCHHEIKQPJD-CSJNAZMVSA-N
Compound Name(S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
Canonical SMILESCC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.03
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P30989 NTSR1 Homo sapiens Human PF00001 9.2 Kd ChEMBL
O95665 NTSR2 Homo sapiens Human PF00001 8.7 IC50 ChEMBL
Q99523 SORT1 Homo sapiens Human PF15902 PF15901 6.2 IC50 ChEMBL