P47989 | XDH_HUMAN | Xanthine dehydrogenase/oxidase (XDH)

Pfam Domain Table

AccessionDomainRangeColor
PF00111Fer2 - 2Fe-2S iron-sulfur cluster binding domain8~77
PF00941FAD_binding_5 - FAD binding domain in molybdopterin dehydrogenase234~411
PF01315Ald_Xan_dh_C - Aldehyde oxidase and xanthine dehydrogenase, a/b hammerhead domain588~694
PF01799Fer2_2 - [2Fe-2S] binding domain87~160
PF02738MoCoBD_1 - Molybdopterin cofactor-binding domain705~947
PF03450CO_deh_flav_C - CO dehydrogenase flavoprotein C-terminal domain420~523
PF20256MoCoBD_2 - Molybdopterin cofactor-binding domain972~1237

3D structures mapped by conservation among orthologs

[ Domain: "CO dehydrogenase ISP C-domain like" // Fer2_2 ]

 PyMOL session

[ Domain: "Ubiquitin-like" // Fer2 ]

 PyMOL session

[ Domain: "Molybdenum cofactor-binding domain" // Ald_Xan_dh_C2 ]

 PyMOL session

[ Domain: "SufE/NifU" // CO_deh_flav_C ]

 PyMOL session

[ Domain: "FAD-binding domain" // FAD_binding_5 ]

 PyMOL session

[ Domain: "CO dehydrogenase molybdoprotein N-domain-like" // Ald_Xan_dh_C ]

 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
CHEMBL5417928 IC50 = 0.38 nM 372.83 Cc1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)sc1C(=O)O Homo sapiens CHEMBL5357575 single protein format
CHEMBL5436777 IC50 = 1.0 nM 359.41 Cc1nc(-c2ccc(OCC(C)C)c(-n3cnnn3)c2)sc1C(=O)O Homo sapiens CHEMBL5357575 single protein format
CHEMBL5410457 IC50 = 1.1 nM 337.42 CCCCCCCNc1ccc(-c2cc(C(=O)O)ccn2)cc1C#N Homo sapiens CHEMBL5357575 single protein format
CHEMBL3402699 IC50 = 3.0 nM 341.39 Cc1nc(-c2ccc3c(c2)c(C#N)cn3C(C)CO)sc1C(=O)O Homo sapiens CHEMBL5357575 single protein format
CHEMBL5406281 IC50 = 3.1 nM 359.41 Cc1nc(-c2cc(C#N)c3[nH]c(-c4ccccc4)cc3c2)sc1C(=O)O Homo sapiens CHEMBL5357575 single protein format
CHEMBL5437185 IC50 = 3.5 nM 385.45 COCCOCCn1cc(C#N)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21 Homo sapiens CHEMBL5357575 single protein format
CHEMBL5428004 IC50 = 5.0 nM 325.39 CCn1cc(C)c2cc(-c3nc(C)c(C(=O)O)s3)cc(C#N)c21 Homo sapiens CHEMBL5357575 single protein format
CHEMBL5423539 IC50 = 5.0 nM 339.42 CCCn1cc(C)c2cc(-c3nc(C)c(C(=O)O)s3)cc(C#N)c21 Homo sapiens CHEMBL5357575 single protein format
CHEMBL5433112 IC50 = 5.0 nM 297.34 Cc1nc(-c2cc(C#N)c3c(ccn3C)c2)sc1C(=O)O Homo sapiens CHEMBL5357575 single protein format
CHEMBL2316146 IC50 = 5.7 nM 413.31 COc1cc(/C=C2\CCC/C(=C\c3ccc(Br)cc3)C2=O)cc(OC)c1 Homo sapiens CHEMBL3870270 single protein format
CHEMBL169526 IC50 = 5.8 nM 299.33 CC(C)(C)COc1ccc(-n2cc(C(=O)O)cn2)cc1C#N Homo sapiens CHEMBL4333722 single protein format
CHEMBL2316158 IC50 = 10.8 nM 412.51 COc1cc(/C=C2\CCC/C(=C\c3ccc(S(C)(=O)=O)cc3)C2=O)cc(OC)c1 Homo sapiens CHEMBL3870270 single protein format
CHEMBL3933132 IC50 = 17.7 nM 398.48 COc1cc(/C=C2\CC/C(=C\c3ccc(S(C)(=O)=O)cc3)C2=O)cc(OC)c1 Homo sapiens CHEMBL3870270 single protein format
CHEMBL5402445 IC50 = 18.0 nM 293.33 CCCn1cc(C#N)c2cc(NC(=O)c3c[nH]cn3)ccc21 Homo sapiens CHEMBL5392204 single protein format
CHEMBL2316145 IC50 = 18.9 nM 413.31 COc1cc(/C=C2\CCC/C(=C\c3cccc(Br)c3)C2=O)cc(OC)c1 Homo sapiens CHEMBL3870270 single protein format
CHEMBL2205509 IC50 = 20.0 nM 284.32 CC(C)COc1ccc(-c2cc(O)nc(N)n2)cc1C#N Homo sapiens CHEMBL2209519 single protein format
CHEMBL5421228 IC50 = 20.7 nM 335.33 N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1CCC(F)(F)C2 Homo sapiens CHEMBL5357577 single protein format
CHEMBL5433814 IC50 = 22.0 nM 386.38 N#Cc1ccccc1COc1ccc(NC(=O)c2c[nH]cn2)cc1-n1cnnn1 Homo sapiens CHEMBL5392204 single protein format
CHEMBL5432623 IC50 = 22.8 nM 303.3 N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1OCCO2 Homo sapiens CHEMBL5357577 single protein format
CHEMBL5190308 IC50 = 23.3 nM 296.35 NC1=NC(=O)/C(=C\c2ccc(Oc3ccccc3)cc2)S1 Homo sapiens CHEMBL5145440 single protein format