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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50113079
Substrate
n/a
Meas. Tech.
ChEBML_66266
Ki
47000±n/a nM
Citation
 Choi, C; Li, JH; Vaal, M; Thomas, C; Limburg, D; Wu, YQ; Chen, Y; Soni, R; Scott, C; Ross, DT; Guo, H; Howorth, P; Valentine, H; Liang, S; Spicer, D; Fuller, M; Steiner, J; Hamilton, GS Use of parallel-synthesis combinatorial libraries for rapid identification of potent FKBP12 inhibitors. Bioorg Med Chem Lett 12:1421-8 (2002) [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:
BDBM50113079
Synonyms:
(S)-1-(Adamantan-1-ylthiocarbamoyl)-pyrrolidine-2-carboxylic acid phenethyl ester | CHEMBL284030
Type:
Small organic molecule
Emp. Form.:
C24H32N2O2S
Mol. Mass.:
412.588
SMILES:
O=C(OCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
Structure:
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