3D structures mapped by conservation among orthologs

[ Domain: "Carbonic anhydrase" // Carb_anhydrase ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV    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
CHEMBL20		IC50	=	840.0	nM	222.25	CC(=O)Nc1nnc(S(N)(=O)=O)s1	Homo sapiens	CHEMBL1953732	single protein format
CHEMBL19		Ki	=	1.1	nM	236.28	CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C	Homo sapiens	CHEMBL925143	single protein format
CHEMBL20		Ki	=	3.1	nM	222.25	CC(=O)Nc1nnc(S(N)(=O)=O)s1	Homo sapiens	CHEMBL925143	single protein format
CHEMBL58323		Ki	=	374.0	nM	250.3	COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1	Homo sapiens	CHEMBL1046630	single protein format
CHEMBL1214195		Ki	=	420.0	nM	186.26	NCCNc1cccc2ccccc12	Homo sapiens	CHEMBL1217096	single protein format
CHEMBL255863		Ki	=	443.0	nM	529.53	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	Homo sapiens	CHEMBL1053953	single protein format
CHEMBL1956579		Ki	=	480.0	nM	161.16	O/N=c1/ccc2ccccc2o1	Homo sapiens	CHEMBL1960517	single protein format
CHEMBL119296		Ki	=	500.0	nM	102.18	NCCCCCN	Homo sapiens	CHEMBL1217096	single protein format
CHEMBL1214194		Ki	=	520.0	nM	230.4	CN(C)CCN(C)CCN(C)CCN(C)C	Homo sapiens	CHEMBL1217096	single protein format
CHEMBL941		Ki	=	528.0	nM	493.62	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	Homo sapiens	CHEMBL1053953	single protein format
CHEMBL186422		Ki	=	570.0	nM	145.16	O=c1ccc2ccccc2[nH]1	Homo sapiens	CHEMBL1960505	single protein format
CHEMBL303004		Ki	=	600.0	nM	116.21	NCCCCCCN	Homo sapiens	CHEMBL1217096	single protein format
CHEMBL1956578		Ki	=	710.0	nM	139.15	Cc1cc(C)o/c(=N/O)c1	Homo sapiens	CHEMBL1960517	single protein format
CHEMBL153094		Ki	=	877.0	nM	237.36	CCCCCCCCCCOS(N)(=O)=O	Homo sapiens	CHEMBL1055318	single protein format
CHEMBL21		Ki	=	988.0	nM	172.21	Nc1ccc(S(N)(=O)=O)cc1	Homo sapiens	CHEMBL1046630	single protein format