Molecule Details
InChIKeyREDSVMQELDPLIJ-RRIAGDGJSA-N
Compound Name(2R)-2-[[(2R)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]carbamoylamino]-3-methylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propanoyl]amino]-4-methylpentanoic 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)NC1[C@H](C)CCC[C@@H]1C)C(C)C)C(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.22
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 8.7 IC50 ChEMBL;BindingDB
P31350 RRM2 Homo sapiens Human PF00268 8.0 IC50 ChEMBL
Q7LG56 RRM2B Homo sapiens Human PF00268 8.0 IC50 ChEMBL