3D structures mapped by conservation among orthologs

[ Domain: "Tubulin C-terminal domain-like" // Tubulin_C ]

 PyMOL session

[ Domain: "Tubulin nucleotide-binding domain-like" // Tubulin ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 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
CHEMBL4800264		IC50	=	2.6	nM	319.41	COc1cccc2cc(N(C)c3nc(C)nc4c3CCC4)ccc12	Homo sapiens	CHEMBL4688370	cell-based format
CHEMBL67		IC50	=	5.2	nM	316.35	COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O	Homo sapiens	CHEMBL2396366	cell-based format
CHEMBL2425924		IC50	=	8.2	nM	305.81	COc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1.Cl	Homo sapiens	CHEMBL2428597	cell-based format
CHEMBL3040513		IC50	=	9.6	nM	269.35	COc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1	Homo sapiens	CHEMBL4688370	cell-based format
CHEMBL4758455		IC50	=	9.6	nM	320.4	COc1cccc2cc(N(C)c3nc(N)nc4c3CCC4)ccc12	Homo sapiens	CHEMBL4688370	cell-based format
CHEMBL2391704		IC50	=	18.8	nM	333.4	CCOc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c23)cc1	Homo sapiens	CHEMBL2396366	cell-based format
CHEMBL2391709		IC50	=	21.4	nM	319.37	COc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c23)cc1	Homo sapiens	CHEMBL2396366	cell-based format
CHEMBL1824506		IC50	=	23.9	nM	319.84	COc1ccc(N(C)c2nc(C)nc3c2CC(C)C3)cc1.Cl	Homo sapiens	CHEMBL2428597	cell-based format
CHEMBL4763551		IC50	=	43.0	nM	305.38	COc1cccc2cc(N(C)c3ncnc4c3CCC4)ccc12	Homo sapiens	CHEMBL4688370	cell-based format
CHEMBL2391703		IC50	=	45.5	nM	333.4	CCN(c1ccc(OC)cc1)c1nc(N)nc2[nH]c3ccccc3c12	Homo sapiens	CHEMBL2396366	cell-based format
CHEMBL4751710		IC50	=	180.0	nM	319.41	COc1ccc(N(C)c2nc(C)nc3c2CCC3)c2ccccc12	Homo sapiens	CHEMBL4688370	cell-based format
CHEMBL4791869		IC50	=	780.0	nM	319.41	COc1cccc2c(N(C)c3nc(C)nc4c3CCC4)cccc12	Homo sapiens	CHEMBL4688370	cell-based format