Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50283512
Substrate
n/a
Meas. Tech.
ChEMBL_66417 (CHEMBL677275)
Kd
2000±n/a nM
Citation
 Caffrey, MV; Cladingboel, DE; Cooper, ME; Donald, DK; Furber, M; Hardern, DN; Harrison, RP; Stocks, MJ; Teague, SJ Synthesis and evaluation of dual domain macrocyclic FKBP12 ligands. Bioorg Med Chem Lett 4:2507-2510 (1994)    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:
BDBM50283512
Synonyms:
(3R,4R,29aS)-4,10-dimethyl-8-(prop-2-en-1-yl)-3-[2-(pyridin-3-yl)ethyl]-1H,3H,4H,5H,6H,7H,8H,11H,12H,14H,16H,17H,18H,19H,20H,21H,23H,24H,26H,27H,28H,29H,29aH-pyrido[1,2-m]1,3,10,16-tetraoxa-13-azacyclohexacosan-1,7,14,16,20,21,23,24-octone | CHEMBL310172
Type:
Small organic molecule
Emp. Form.:
C37H46N2O12
Mol. Mass.:
710.7673
SMILES:
C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
Structure:
Search PDB for entries with ligand similarity: