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TargetAdenosine deaminase
LigandBDBM50170632
Substrate/Competitorn/a
Meas. Tech.ChEMBL_304850
IC50 700±n/a nM
Citation Terasaka, TTsuji, KKato, TNakanishi, IKinoshita, TKato, YKuno, MInoue, TTanaka, KNakamura, K Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism. J Med Chem48:4750-3 (2005) [PubMed]  Article
More Info.:Get all data from this article,  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:
BDBM50170632
NameBDBM50170632
Synonyms:CHEMBL93647 | N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE | N-(4-{5-[(1H-Benzoimidazol-2-ylamino)-methyl]-thiophen-2-yl}-thiazol-2-yl)-guanidine
TypeSmall organic molecule
Emp. Form.C16H15N7S2
Mol. Mass.369.467
SMILESNC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1 |(14.92,-6.19,;13.82,-5.13,;12.34,-5.56,;14.19,-3.64,;13.07,-2.57,;11.56,-2.83,;10.83,-1.48,;11.91,-.36,;13.3,-1.03,;9.32,-1.27,;8.59,.09,;7.08,-.17,;6.87,-1.69,;5.51,-2.41,;4.21,-1.59,;2.85,-2.32,;2.64,-3.86,;1.12,-4.11,;.29,-5.44,;-1.25,-5.37,;-1.98,-4,;-1.14,-2.71,;.38,-2.76,;1.45,-1.64,;8.24,-2.36,)|
Structure
n/a