P00813 | ADA_HUMAN | Adenosine deaminase (ADA)

Pfam Domain Table

AccessionDomainRangeColor
PF00962A_deaminase - Adenosine deaminase10~349

3D structures mapped by conservation among orthologs

[ Domain: "TIM barrels" // A_deaminase ]

 PyMOL session


[ Alpha Fold Model ] (go)



Known binders annotated in ChEMBL

 IC50 CSV    Ki CSV
Only the first 20 rows are shown.
molecule_chembl_idstructureassay_typerelation valueunitmol_wtsmilesorganism assay_chembl_idbao_label
CHEMBL340297 IC50 = 6.7 nM 481.0 Cn1cc(CC[C@H](CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccc(Cl)cc3)ccc21 Homo sapiens CHEMBL828409 single protein format
CHEMBL359803 IC50 = 8.6 nM 424.89 C[C@H](O)[C@@H](CCc1cccc2nc(-c3ccc(Cl)cc3)oc12)n1cnc(C(N)=O)c1 Homo sapiens CHEMBL828409 single protein format
CHEMBL436332 IC50 = 8.7 nM 424.89 C[C@H](O)[C@@H](CCc1cccc2oc(-c3ccc(Cl)cc3)nc12)n1cnc(C(N)=O)c1 Homo sapiens CHEMBL828409 single protein format
CHEMBL328139 IC50 = 15.0 nM 342.23 C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(C(N)=O)c1 Homo sapiens CHEMBL828409 single protein format
CHEMBL93560 IC50 = 16.0 nM 323.4 C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1 Homo sapiens CHEMBL828409 single protein format
CHEMBL327830 IC50 = 570.0 nM 309.37 NC(=O)c1cn(C(CO)CCc2cccc3ccccc23)cn1 Homo sapiens CHEMBL828409 single protein format
CHEMBL93647 IC50 = 700.0 nM 369.48 NC(N)=Nc1nc(-c2ccc(CNc3nc4ccccc4[nH]3)s2)cs1 Homo sapiens CHEMBL828409 single protein format
CHEMBL1651378 Ki = 0.0025 nM 266.26 OC[C@H]1O[C@@H](n2cnc3c2N=CN=C[C@@H]3O)C[C@@H]1O Homo sapiens CHEMBL1655235 single protein format
CHEMBL2112110 Ki = 0.0025 nM 267.29 OC[C@@H]1O[C@H](n2cnc3c2N=CCC[C@H]3O)C[C@H]1O Homo sapiens CHEMBL646136 single protein format
CHEMBL1651377 Ki = 0.01 nM 282.26 OC[C@H]1O[C@@H](n2cnc3c2N=CN=C[C@@H]3O)[C@H](O)[C@@H]1O Homo sapiens CHEMBL1655235 single protein format
CHEMBL604966 Ki = 0.01 nM 283.28 OC[C@@H]1OC(n2cnc3c2N=CCC[C@H]3O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL646136 single protein format
CHEMBL1651379 Ki = 0.053 nM 291.4 CCCCCCCC[C@@H](O)Cn1cc2c(N)ncnc2n1 Homo sapiens CHEMBL1655235 single protein format
CHEMBL1580 Ki = 0.1 nM 268.27 OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O Homo sapiens CHEMBL873052 single protein format
CHEMBL284483 Ki = 0.1 nM 284.27 OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C@@H]1O Homo sapiens CHEMBL873052 single protein format
CHEMBL296435 Ki = 2.0 nM 277.37 CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21 Homo sapiens CHEMBL873052 single protein format
CHEMBL340297 Ki = 4.9 nM 481.0 Cn1cc(CC[C@H](CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccc(Cl)cc3)ccc21 Homo sapiens CHEMBL646140 single protein format
CHEMBL18496 Ki = 6.3 nM 276.38 CCCCCCC(C(C)O)n1cnc2c(N)nccc21 Homo sapiens CHEMBL646138 single protein format
CHEMBL125386 Ki = 7.5 nM 446.51 NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc32)cn1 Homo sapiens CHEMBL646140 single protein format
CHEMBL93280 Ki = 7.7 nM 499.58 Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)nc2ccccc21 Homo sapiens CHEMBL640462 single protein format
CHEMBL92404 Ki = 9.8 nM 339.39 C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(C(N)=O)c1 Homo sapiens CHEMBL646137 single protein format