Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50030448
Substrate
n/a
Meas. Tech.
ChEMBL_66272 (CHEMBL678142)
IC50
2.3±n/a nM
Citation
 Wiedeman, PEFesik, SWPetros, AMNettesheim, DGMollison, KWLane, BCOr, YSLuly, JR Retention of immunosuppressant activity in an ascomycin analogue lacking a hydrogen-bonding interaction with FKBP12. J Med Chem 42:4456-61 (1999) [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:
BDBM50030448
Synonyms:
8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 | TACROLIMUS
Type:
Small organic molecule
Emp. Form.:
C44H69NO12
Mol. Mass.:
804.0182
SMILES:
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45|
Structure:
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