Molecule Details
InChIKeyZAMMUEWTTYTLIK-DTSFCTBBSA-N
Compound Name2-{3-Carboxy-2-[2-(3-methyl-2-{3-methyl-2-[methyl-(3-phenyl-propionyl)-amino]-butyrylamino}-butyrylamino)-4-oxo-4-pyrrolidin-1-yl-butyrylamino]-propionylamino}-4-methyl-pentanoic acid
Canonical SMILESCC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCc1ccccc1)C(C)C)C(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.64
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P23921 RRM1 Homo sapiens Human PF03477 PF02867 PF00317 8.1 IC50 ChEMBL;BindingDB
P31350 RRM2 Homo sapiens Human PF00268 7.4 IC50 ChEMBL
Q7LG56 RRM2B Homo sapiens Human PF00268 7.4 IC50 ChEMBL