Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand
BDBM50552327
Substrate
n/a
Meas. Tech.
ChEMBL_2034044 (CHEMBL4688202)
Ki
20±n/a nM
Citation
 Du, L; Wang, X; Cui, G; Xu, B Design, synthesis and biological evaluation of novel thiazole-based derivatives as human Pin1 inhibitors. Bioorg Med Chem 29:0 (2021) [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:
BDBM50552327
Synonyms:
CHEMBL4751817
Type:
Small organic molecule
Emp. Form.:
C39H50N7O11P
Mol. Mass.:
823.8284
SMILES:
C[C@H](OP(O)(O)=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: