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Target
Adenosine deaminase
Ligand
BDBM22918
Substrate
BDBM14487
Meas. Tech.
ADA Inhibition Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
1200±n/a nM
Citation
 Terasaka, T; Kinoshita, T; Kuno, M; Nakanishi, I A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization. J Am Chem Soc 126:34-5 (2004) [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:
BDBM22918
Synonyms:
2-(4-{5-[(1H-1,3-benzodiazol-2-ylamino)methyl]thiophen-2-yl}-1,3-thiazol-2-yl)guanidine | FR117016
Type:
Small organic molecule
Emp. Form.:
C16H15N7S2
Mol. Mass.:
369.467
SMILES:
NC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1 |(6.29,.5,;7.62,1.27,;8.95,.5,;7.62,2.81,;6.27,3.55,;4.88,2.89,;3.82,4.01,;4.56,5.36,;6.07,5.08,;2.28,4.01,;1.16,5.06,;-.19,4.32,;.09,2.81,;-1.24,2.04,;-2.57,2.81,;-3.91,2.04,;-4.38,.58,;-5.92,.58,;-6.95,-.57,;-8.46,-.25,;-8.94,1.22,;-7.91,2.36,;-6.4,2.04,;-5.15,2.95,;1.62,2.62,)|
Structure:
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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:
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