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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM285727
Substrate
n/a
Meas. Tech.
Protease-Free PPIase Assay
pH
7.8±n/a
Ki
4.40±n/a nM
Comments
extracted
Citation
 Pettit, SN; Jones, AD; Frydrych, CS; Thomas, AJ; Garst, ME Cyclosporins modified on the MeBmt sidechain by heterocyclic rings US Patent  US10077289 Publication Date 9/18/2018 
Target
Name:
Peptidyl-prolyl cis-trans isomerase A
Synonyms:
CYPA | CYPA PPIase | Cyclophilin A | Cyclosporin A-binding protein | PPIA | PPIA_HUMAN | PPIase A | Peptidyl-prolyl cis-trans isomerase A | Rotamase A
Type:
Protein
Mol. Mass.:
18015.32
Organism:
Homo sapiens (Human)
Description:
P62937
Residue:
165
Sequence:
MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
  
Inhibitor
Name:
BDBM285727
Synonyms:
US10077289, Compound 35 | [2S,3R,4R)-3-Hydroxy-4-methyl-2-(methylamino)-7-(pyrid-2-yl)heptanoic acid]1[(R)-thiomethyl Sar]3 cyclosporin A
Type:
Small organic molecule
Emp. Form.:
C67H116N12O12S
Mol. Mass.:
1313.776
SMILES:
CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2ccccn2)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)[C@@H](SC)N(C)C1=O)C(C)C |r|
Structure:
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