Reaction Details
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Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand
BDBM50170738
Substrate
n/a
Meas. Tech.
ChEMBL_302233 (CHEMBL827006)
Kd
420000±n/a nM
Citation
Smet, C; Duckert, JF; Wieruszeski, JM; Landrieu, I; Buée, L; Lippens, G; Déprez, B Control of protein-protein interactions: structure-based discovery of low molecular weight inhibitors of the interactions between Pin1 WW domain and phosphopeptides. J Med Chem 48:4815-23 (2005) [PubMed] Article More Info.:
Target
Name:
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Synonyms:
PIN1 | PIN1_HUMAN | PPIase Pin1 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Type:
PROTEIN
Mol. Mass.:
18248.11
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1502595
Residue:
163
Sequence:
MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Inhibitor
Name:
BDBM50170738
Synonyms:
CHEMBL365768 | Phosphoric acid mono-[(1R,2S)-2-acetylamino-3-((S)-2-(S)-carbamoyl-4-fluoro-pyrrolidin-1-yl)-1-methyl-3-oxo-propyl] ester
Type:
Small organic molecule
Emp. Form.:
C11H19FN3O7P
Mol. Mass.:
355.2566
SMILES:
C[C@@H](OP(O)(O)=O)[C@H](NC(C)=O)C(=O)N1C[C@@H](F)C[C@H]1C(N)=O
Structure:
