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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM23384
Substrate
BDBM23318
Meas. Tech.
Peptidyl Prolyl Isomerase (PPIase) Inibition Assay
Ki
772±n/a nM
Citation
 Hudack, RA; Barta, NS; Guo, C; Deal, J; Dong, L; Fay, LK; Caprathe, B; Chatterjee, A; Vanderpool, D; Bigge, C; Showalter, R; Bender, S; Augelli-Szafran, CE; Lunney, E; Hou, X Design, synthesis, and biological activity of novel polycyclic aza-amide FKBP12 ligands. J Med Chem 49:1202-6 (2006) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase FKBP1A
Synonyms:
12 kDa FKBP | FK506-binding protein 1A | FKB1A_BOVIN | FKBP-12 | FKBP1 | FKBP1A | Immunophilin FKBP12 | PPIase | Rotamase
Type:
Isomerase
Mol. Mass.:
11911.51
Organism:
Bos taurus (bovine)
Description:
The enzyme was purified from calf thymus. The collected protein was further applied to Sephacryl column, and the fraction contained high PPIase activity was pooled.
Residue:
108
Sequence:
MGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFVLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPNATLIFDVELLKLE
  
Inhibitor
Name:
BDBM23384
Synonyms:
4,6-dimethoxy-N-(4-nitrophenyl)-12-oxo-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-triene-17-carboxamide | Tetracyclic aza-amide, 13c
Type:
Small organic molecule
Emp. Form.:
C24H26N4O6
Mol. Mass.:
466.4864
SMILES:
COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccc(cc4)[N+]([O-])=O)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
Structure:
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Substrate
Name:
BDBM23318
Synonyms:
3-{[(1S)-1-{[(2S)-4-methyl-1-[(2S)-2-{[(1S)-1-[(4-nitrophenyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}ethyl]carbamoyl}propanoic acid | N-Succinyl-L-alanyl-L-Leucyl-L-prolyl-L-phenylalanine 4-nitroanilide | N-succinyl Ala-Leu-Pro-Phe p-nitroanilide | Suc-ALPF-pNA
Type:
Colorimetric substrate
Emp. Form.:
C33H42N6O9
Mol. Mass.:
666.7214
SMILES:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
Structure:
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