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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50086094
Substrate
n/a
Meas. Tech.
ChEMBL_138591 (CHEMBL746519)
IC50
3.8±n/a nM
Citation
 Yang, W; Rozamus, LW; Narula, S; Rollins, CT; Yuan, R; Andrade, LJ; Ram, MK; Phillips, TB; van Schravendijk, MR; Dalgarno, D; Clackson, T; Holt, DA Investigating protein-ligand interactions with a mutant FKBP possessing a designed specificity pocket. J Med Chem 43:1135-42 (2000) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase FKBP1A
Synonyms:
12 kDa FK506-binding protein | 12 kDa FKBP | FK506-binding protein 1A | FK506-binding protein 1A (FKBP12) | FKB1A_HUMAN | FKBP-12 | FKBP-1A | FKBP1 | FKBP12 | FKBP1A | Immunophilin FKBP12 | PPIase | PPIase FKBP1A | Peptidyl-prolyl cis-trans isomerase (FKBP) | Rotamase | RyR1/FKBP12 | mTOR/FKBP12A/FKBP12B
Type:
Isomerase
Mol. Mass.:
11953.09
Organism:
Homo sapiens (Human)
Description:
P62942
Residue:
108
Sequence:
MGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE
  
Inhibitor
Name:
BDBM50086094
Synonyms:
1-[2-(3,4,5-Trimethoxy-phenyl)-pentanoyl]-piperidine-2-carboxylic acid 1-(3-carboxymethoxy-phenyl)-3-(3,4-dimethoxy-phenyl)-propyl ester | CHEMBL266848
Type:
Small organic molecule
Emp. Form.:
C39H49NO11
Mol. Mass.:
707.8065
SMILES:
CCC[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
Structure:
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