Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM22921
Substrate
BDBM14487
Meas. Tech.
ADA Inhibition Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
54000±n/a nM
Citation
 Terasaka, T; Nakanishi, I; Nakamura, K; Eikyu, Y; Kinoshita, T; Nishio, N; Sato, A; Kuno, M; Seki, N; Sakane, K Structure-based de novo design of non-nucleoside adenosine deaminase inhibitors. Bioorg Med Chem Lett 13:1115-8 (2003) [PubMed]  Article 
Target
Name:
Adenosine deaminase
Synonyms:
ADA | ADA1 | ADA_HUMAN | Adenosine aminohydrolase
Type:
Enzyme
Mol. Mass.:
40759.44
Organism:
Homo sapiens (Human)
Description:
Human recombinant ADA was expressed and purified from an ADA-deficient bacterial strain.
Residue:
363
Sequence:
MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDKPLTLPDFLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVEPIPWNQAEGDLTPDEVVALVGQGLQEGERDFGVKARSILCCMRHQPNWSPKVVELCKKYQQQTVVAIDLAGDETIPGSSLLPGHVQAYQEAVKSGIHRTVHAGEVGSAEVVKEAVDILKTERLGHGYHTLEDQALYNRLRQENMHFEICPWSSYLTGAWKPDTEHAVIRLKNDQANYSLNTDDPLIFKSTLDTDYQMTKRDMGFTEEEFKRLNINAAKSSFLPEDEKRELLDLLYKAYGMPPSASAGQNL
  
Inhibitor
Name:
BDBM22921
Synonyms:
1-(2-hydroxy-1-phenylethyl)-1H-imidazole-4-carboxamide | imidazole-4-carboxamide compound, 3
Type:
Small organic molecule
Emp. Form.:
C12H13N3O2
Mol. Mass.:
231.2505
SMILES:
NC(=O)c1cn(cn1)C(CO)c1ccccc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM14487
Synonyms:
(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | Adenine-beta-D-arabinofuranoside | Adenosine | CHEMBL477 | N6-Methylado | [U-14C]adenosine | cid_191 | cid_60961
Type:
Nucleoside or nucleotide
Emp. Form.:
C10H13N5O4
Mol. Mass.:
267.2413
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Structure:
Search PDB for entries with ligand similarity: