Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand
BDBM34010
Substrate
BDBM34002
Meas. Tech.
Pin1 Enzymatic Activity Assay
pH
7.5±n/a
Temperature
288.15±n/a K
Ki
179±n/a nM
Citation
Guo, C; Hou, X; Dong, L; Dagostino, E; Greasley, S; Ferre, R; Marakovits, J; Johnson, MC; Matthews, D; Mroczkowski, B; Parge, H; Vanarsdale, T; Popoff, I; Piraino, J; Margosiak, S; Thomson, J; Los, G; Murray, BW Structure-based design of novel human Pin1 inhibitors (I). Bioorg Med Chem Lett 19:5613-6 (2009) [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:
Human
Description:
ChEMBL_1502595
Residue:
163
Sequence:
MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Inhibitor
Name:
BDBM34010
Synonyms:
benzothiophene carboxamide, 18b
Type:
Small organic molecule
Emp. Form.:
C18H18NO5PS
Mol. Mass.:
391.378
SMILES:
OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1 |r|