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Reaction Details
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TargetAdenosine deaminase
LigandBDBM22918
Substrate/CompetitorBDBM14487
Meas. Tech.ADA Inhibition Assay
pH7.4±n/a
Temperature295.15±n/a K
Ki 1200±n/a nM
Citation Terasaka, TKinoshita, TKuno, MNakanishi, I A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization. J Am Chem Soc126:34-5 (2004) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Adenosine deaminase
Name:Adenosine deaminase
Synonyms: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:
MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDKPLTLPD
FLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVEPIPWNQA
EGDLTPDEVVALVGQGLQEGERDFGVKARSILCCMRHQPNWSPKVVELCKKYQQQTVVAI
DLAGDETIPGSSLLPGHVQAYQEAVKSGIHRTVHAGEVGSAEVVKEAVDILKTERLGHGY
HTLEDQALYNRLRQENMHFEICPWSSYLTGAWKPDTEHAVIRLKNDQANYSLNTDDPLIF
KSTLDTDYQMTKRDMGFTEEEFKRLNINAAKSSFLPEDEKRELLDLLYKAYGMPPSASAG
QNL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM22918
NameBDBM22918
Synonyms:2-(4-{5-[(1H-1,3-benzodiazol-2-ylamino)methyl]thiophen-2-yl}-1,3-thiazol-2-yl)guanidine | FR117016
TypeSmall organic molecule
Emp. Form.C16H15N7S2
Mol. Mass.369.467
SMILESNC(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
BDBM14487
NameBDBM14487
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
TypeNucleoside or nucleotide
Emp. Form.C10H13N5O4
Mol. Mass.267.2413
SMILESNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Structure