BDBM652 (3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-5-phenylpentanamide::penicillin deriv. 65
SMILES: [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
InChI Key: InChIKey=KMGABVMIQPZZHU-MOYXPMDPSA-N
Data: 1 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM652 ((3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 82 | n/a | n/a | n/a | n/a | 6.0 | 37 |
Glaxo Group Research Ltd. | Assay Description IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a... | J Med Chem 36: 3129-36 (1993) Article DOI: 10.1021/jm00073a012 BindingDB Entry DOI: 10.7270/Q20P0X6C | |||||||||||
More data for this Ligand-Target Pair |