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Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand
BDBM50039703
Substrate
n/a
Meas. Tech.
ChEMBL_1446026 (CHEMBL3379139)
IC50
>40000±n/a nM
Citation
 Li, X; Li, L; Zhou, Q; Zhang, N; Zhang, S; Zhao, R; Liu, D; Jing, Y; Zhao, L Synthesis of the novel elemonic acid derivatives as Pin1 inhibitors. Bioorg Med Chem Lett 24:5612-5 (2014) [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:
BDBM50039703
Synonyms:
CHEMBL3357847
Type:
Small organic molecule
Emp. Form.:
C34H44O6
Mol. Mass.:
548.7096
SMILES:
[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](CCC(O)=O)C(=O)OCc1ccccc1 |r,c:6|
Structure:
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