3D structures mapped by conservation among orthologs

[ Domain: "Carbonic anhydrase" // Carb_anhydrase ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 Ki CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL355001		Ki	=	0.07	nM	96.11	NS(N)(=O)=O	Homo sapiens	CHEMBL1645696	single protein format
CHEMBL68253		Ki	=	0.09	nM	97.09	NS(=O)(=O)O	Homo sapiens	CHEMBL1645696	single protein format
CHEMBL26		Ki	=	0.8	nM	341.43	CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	Homo sapiens	CHEMBL911283	single protein format
CHEMBL21485		Ki	=	0.82	nM	121.93	OB(O)c1ccccc1	Homo sapiens	CHEMBL1645696	single protein format
CHEMBL220491		Ki	=	0.9	nM	383.52	CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	Homo sapiens	CHEMBL911283	single protein format
CHEMBL1956578		Ki	=	8.0	nM	139.15	Cc1cc(C)o/c(=N/O)c1	Homo sapiens	CHEMBL1960513	single protein format
CHEMBL19		Ki	=	10.0	nM	236.28	CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C	Homo sapiens	CHEMBL911283	single protein format
CHEMBL218490		Ki	=	10.0	nM	324.45	CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	Homo sapiens	CHEMBL911283	single protein format
CHEMBL20		Ki	=	11.0	nM	222.25	CC(=O)Nc1nnc(S(N)(=O)=O)s1	Homo sapiens	CHEMBL911283	single protein format
CHEMBL4799997		Ki	=	11.0	nM	353.35	NS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3F)C2=O)cc1	Homo sapiens	CHEMBL4736953	assay format
CHEMBL364571		Ki	=	13.9	nM	202.04	O=[As](O)(O)c1ccccc1	Homo sapiens	CHEMBL1645696	single protein format
CHEMBL7146		Ki	=	24.0	nM	355.44	Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1	Homo sapiens	CHEMBL911283	single protein format
CHEMBL455271		Ki	=	25.0	nM	280.33	NS(=O)(=O)c1ccc2[nH]c(-c3cscn3)nc2c1	Homo sapiens	CHEMBL959283	single protein format
CHEMBL186422		Ki	=	33.0	nM	145.16	O=c1ccc2ccccc2[nH]1	Homo sapiens	CHEMBL1960501	single protein format
CHEMBL71611		Ki	=	41.0	nM	387.83	Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl	Homo sapiens	CHEMBL1211828	single protein format
CHEMBL1956579		Ki	=	41.0	nM	161.16	O/N=c1/ccc2ccccc2o1	Homo sapiens	CHEMBL1960513	single protein format
CHEMBL18		Ki	=	43.0	nM	258.32	CCOc1ccc2nc(S(N)(=O)=O)sc2c1	Homo sapiens	CHEMBL911283	single protein format
CHEMBL220492		Ki	=	45.0	nM	339.37	CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1	Homo sapiens	CHEMBL911283	single protein format
CHEMBL77517		Ki	=	47.0	nM	385.85	NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1	Homo sapiens	CHEMBL911283	single protein format
CHEMBL266026		Ki	=	55.0	nM	341.41	Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1	Homo sapiens	CHEMBL911283	single protein format