3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // UNK_F_TYPE ]

 PyMOL session

[ Domain: "SRCR-like" // SRCR ]

 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
CHEMBL4457578		IC50	=	5.0	nM	481.98	Cc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2cc(C(=O)O)ccc2n1C/C(F)=C/CN.Cl	Homo sapiens	CHEMBL4323269	cell-based format
CHEMBL4456063		IC50	=	28.0	nM	495.48	Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3cnc(CN)s3)c2)cc1.Cl.Cl	Homo sapiens	CHEMBL4421182	single protein format
CHEMBL4068580		IC50	=	34.0	nM	493.94	Cl.NCc1cc(Oc2cccc(C(=O)NCc3cc4ccccc4s3)c2)nc(C(F)(F)F)c1	Homo sapiens	CHEMBL4052329	cell-based format
CHEMBL4084982		IC50	=	35.0	nM	454.86	Cl.NCc1cc(Oc2cccc(C(=O)NCCS(N)(=O)=O)c2)nc(C(F)(F)F)c1	Homo sapiens	CHEMBL4052329	cell-based format
CHEMBL4059919		IC50	=	42.0	nM	423.82	Cl.NCc1cc(Oc2cccc(C(=O)Nc3ccccc3)c2)nc(C(F)(F)F)c1	Homo sapiens	CHEMBL4052329	cell-based format
CHEMBL4082808		IC50	=	43.0	nM	443.82	Cl.NCc1cc(Oc2cccc(C(=O)NCCn3cnnn3)c2)nc(C(F)(F)F)c1	Homo sapiens	CHEMBL4052329	cell-based format
CHEMBL4453775		IC50	=	45.0	nM	346.91	CCc1cc(CC)cc(S(=O)(=O)c2cnc(CN)s2)c1.Cl	Homo sapiens	CHEMBL4421182	single protein format
CHEMBL4086010		IC50	=	50.0	nM	373.82	Cl.NCc1ccnc(Oc2cccc(C(=O)Nc3ccc(F)cc3)c2)c1	Homo sapiens	CHEMBL4052329	cell-based format
CHEMBL4103928		IC50	=	53.0	nM	385.85	COc1ccc(NC(=O)c2cccc(Oc3cc(CN)ccn3)c2)cc1.Cl	Homo sapiens	CHEMBL4052329	cell-based format
CHEMBL4522781		IC50	=	56.0	nM	318.85	CCc1cccc(S(=O)(=O)c2cnc(CN)s2)c1.Cl	Homo sapiens	CHEMBL4421182	single protein format
CHEMBL4526964		IC50	=	56.0	nM	386.52	NCc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1	Homo sapiens	CHEMBL4421182	single protein format
CHEMBL4088453		IC50	=	56.0	nM	355.83	Cl.NCc1ccnc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1	Homo sapiens	CHEMBL4052329	cell-based format
CHEMBL4097435		IC50	=	58.0	nM	453.29	Cl.Cl.NCc1cc(Oc2cccc(C(=O)N3CC[C@@H](N)C3)c2)nc(C(F)(F)F)c1	Homo sapiens	CHEMBL4052329	cell-based format
CHEMBL4551841		IC50	=	58.0	nM	468.86	CNc1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1.Cl.Cl.Cl	Homo sapiens	CHEMBL4421182	single protein format
CHEMBL4540610		IC50	=	60.0	nM	366.9	Cl.NCc1ncc(S(=O)(=O)c2cccc(-c3ccccc3)c2)s1	Homo sapiens	CHEMBL4421182	single protein format
CHEMBL4067192		IC50	=	62.0	nM	369.85	Cl.NCc1ccnc(Oc2cccc(C(=O)NCc3ccccc3)c2)c1	Homo sapiens	CHEMBL4052329	cell-based format
CHEMBL4518059		IC50	=	64.0	nM	498.84	Cc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)c3cnc(CN)s3)c2)cn1.Cl.Cl.Cl	Homo sapiens	CHEMBL4421181	single protein format
CHEMBL4436117		IC50	=	65.0	nM	394.95	CCc1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1.Cl	Homo sapiens	CHEMBL4421182	single protein format
CHEMBL4439162		IC50	=	66.0	nM	499.44	CS(=O)(=O)c1cc(-c2cccc(F)c2)cc(S(=O)(=O)c2cnc(CN)s2)c1.Cl.Cl	Homo sapiens	CHEMBL4421181	single protein format
CHEMBL4089707		IC50	=	67.0	nM	360.34	NCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(C(F)(F)F)c1	Homo sapiens	CHEMBL4052329	cell-based format