Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand
BDBM50314705
Substrate
n/a
Meas. Tech.
ChEMBL_625852 (CHEMBL1109788)
Ki
1800±n/a nM
Citation
 Dong, L; Marakovits, J; Hou, X; Guo, C; Greasley, S; Dagostino, E; Ferre, R; Johnson, MC; Kraynov, E; Thomson, J; Pathak, V; Murray, BW Structure-based design of novel human Pin1 inhibitors (II). Bioorg Med Chem Lett 20:2210-4 (2010) [PubMed]  Article 
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:
BDBM50314705
Synonyms:
(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid | (R,)-2-(2-naphthamido)-5-phenylpent-4-enoic acid | CHEMBL1090714
Type:
Small organic molecule
Emp. Form.:
C22H19NO3
Mol. Mass.:
345.3912
SMILES:
OC(=O)[C@@H](C\C=C\c1ccccc1)NC(=O)c1ccc2ccccc2c1 |r|
Structure:
Search PDB for entries with ligand similarity: