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Target
Peptidyl-prolyl cis-trans isomerase FKBP1B
Ligand
BDBM50022815
Substrate
n/a
Meas. Tech.
ChEMBL_154486 (CHEMBL765263)
Ki
6.0±n/a nM
Citation
 Hu, MK; Badger, A; Rich, DH Cyclosporin analogs modified in the 3,7,8-positions: substituent effects on peptidylprolyl isomerase inhibition and immunosuppressive activity are nonadditive. J Med Chem 38:4164-70 (1995) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase FKBP1B
Synonyms:
12.6 kDa FKBP | FK506-binding protein 1B | FKB1B_HUMAN | FKBP-12.6 | FKBP-1B | FKBP12.6 | FKBP1B | FKBP1L | FKBP9 | Immunophilin FKBP12.6 | OTK4 | PPIase FKBP1B | Peptidyl-prolyl cis-trans isomerase FKBP1B | Rotamase | h-FKBP-12 | mTOR/FKBP12A/FKBP12B
Type:
PROTEIN
Mol. Mass.:
11785.40
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1458980
Residue:
108
Sequence:
MGVEIETISPGDGRTFPKKGQTCVVHYTGMLQNGKKFDSSRDRNKPFKFRIGKQEVIKGFEEGAAQMSLGQRAKLTCTPDVAYGATGHPGVIPPNATLIFDVELLNLE
  
Inhibitor
Name:
BDBM50022815
Synonyms:
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone | 30-Ethyl-33-((E)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | 30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | CYCLOSPORINE | Cyclosporin A | Cyclosporine A | Cyclosproine A | US10077289, Compound Cyclosporin A | US9138393, Cyclosporin A
Type:
Small organic molecule
Emp. Form.:
C62H111N11O12
Mol. Mass.:
1202.6112
SMILES:
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Structure:
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