P31327 | CPSM_HUMAN | "Carbamoyl-phosphate synthase [ammonia], mitochondrial" (CPS1)

3D structures mapped by conservation among orthologs

[ Domain: "winged" // CPSase_L_D3 ]

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[ Domain: "PreATP-grasp domain" // carB ]

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[ Domain: "Class I glutamine amidotransferase-like" // GATase ]

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[ Domain: "ATP-grasp" // ATP-grasp ]

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[ Domain: "The "swivelling" beta/beta/alpha domain" // CPSase_sm_chain ]

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[ Domain: "Methylglyoxal synthase-like" // MGS ]

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[ Domain: "Methylglyoxal synthase-like" // MGS,EUF08629 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id	structure	assay_type	relation	values	units	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL4649653		IC50	=	66.0	nM	409.46	COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc4cc[nH]c4c3)C[C@H]2C)c(F)c1	Homo sapiens	CHEMBL4619220	cell-based format
CHEMBL4649844		IC50	=	130.0	nM	432.47	CCOc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(OC)cc3F)[C@H](C)C2)c(F)c1	Homo sapiens	CHEMBL4619220	cell-based format
CHEMBL4638888		IC50	=	170.0	nM	423.49	COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc4cc(C)[nH]c4c3)C[C@H]2C)c(F)c1	Homo sapiens	CHEMBL4619220	cell-based format
CHEMBL4636473		IC50	=	360.0	nM	418.44	COc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(OC)cc3F)[C@H](C)C2)c(F)c1	Homo sapiens	CHEMBL4619220	cell-based format
CHEMBL4634845		IC50	=	360.0	nM	402.44	COc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(C)cc3F)[C@H](C)C2)c(F)c1	Homo sapiens	CHEMBL4619220	cell-based format
CHEMBL4644019		IC50	=	380.0	nM	432.47	CCOc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc(OC)cc3F)C[C@H]2C)c(F)c1	Homo sapiens	CHEMBL4619220	cell-based format
CHEMBL4634332		IC50	=	540.0	nM	418.44	COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc(OC)c(F)c3)C[C@H]2C)c(F)c1	Homo sapiens	CHEMBL4619220	cell-based format