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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM172718
Substrate
n/a
Meas. Tech.
Isothermal Titration Calorimetry (ITC)
Kd
11.0±1 nM
Citation
 Michel, J; De Simone, A; Ioannidis, C; Juarez-Jimenez, J; Georgiou, C; Gupta, A; Hulme, A; Walkinshaw, M; Doughty Shenton, D Compounds for the modulation of cyclophilins function US Patent  US11802108 Publication Date 10/31/2023 
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:
BDBM172718
Synonyms:
US11802108, Compound CSA | US9090657, Cyclosporine A, 1
Type:
Small organic molecule
Emp. Form.:
C62H111N11O12
Mol. Mass.:
1202.6112
SMILES:
CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Structure:
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