Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50388263
Substrate
n/a
Meas. Tech.
ChEMBL_829708 (CHEMBL2061148)
IC50
8100±n/a nM
Citation
 Gopalakrishnan, R; Kozany, C; Wang, Y; Schneider, S; Hoogeland, B; Bracher, A; Hausch, F Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52. J Med Chem 55:4123-31 (2012) [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:
BDBM50388263
Synonyms:
CHEMBL2058230
Type:
Small organic molecule
Emp. Form.:
C30H35N3O9S
Mol. Mass.:
613.679
SMILES:
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccnc(C)n2)c2cccc(OCC(O)=O)c2)cc1OC |r|
Structure:
Search PDB for entries with ligand similarity: