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P13995 | MTDC_HUMAN | "Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial" (MTHFD2)

3D structures mapped by conservation among orthologs

[ Domain: "NAD(P)-binding Rossmann-fold domains" // THF_DHG_CYH_C ]

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[ Domain: "Aminoacid dehydrogenase-like, N-terminal domain" // THF_DHG_CYH ]

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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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4470947 OBDepict CH 3 N H H 3 C N CH 3 O O N O Cl HN S O O H 3 C IC50 = 9.3 nM 559.09 Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4483030 OBDepict CH 3 N N CH 3 O O N O O N H S F F F O O CH 3 IC50 = 21.0 nM 594.61 Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL297258 OBDepict OH O N H O OH O N O N NH N O N H NH 2 Ki = 29.0 nM 471.43 Nc1nc2c(c(=O)[nH]1)N1C(=O)N(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2 Homo sapiens CHEMBL3626666 single protein format
CHEMBL4542665 OBDepict CH 3 N N CH 3 O O N O Br HN S O O H 3 C IC50 = 33.0 nM 589.51 Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Br)c1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4584730 OBDepict CH 3 N H H 3 C H CH 3 N CH 3 O O N O Cl HN S O O H 3 C IC50 = 37.0 nM 573.12 Cc1c(N2C[C@H](C)N(C)[C@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4538356 OBDepict CH 3 N N CH 3 O O N O F HN S O O H 3 C IC50 = 38.0 nM 528.61 Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(F)c1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4546647 OBDepict CH 3 N N CH 3 O O N O Cl HN S O O H 3 C IC50 = 48.0 nM 545.06 Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4441993 OBDepict CH 3 N CH 3 O CH 3 O O N O O HO ClH IC50 = 49.0 nM 486.95 Cc1c(OCCN(C)C)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(C(=O)O)cc1)CC3.Cl Homo sapiens CHEMBL4338134 single protein format
CHEMBL4551634 OBDepict CH 3 N N CH 3 O O N O Cl NH S O O H 3 C IC50 = 89.0 nM 545.06 Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1cc(Cl)cc(NS(C)(=O)=O)c1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4474051 OBDepict CH 3 N H H 3 C N CH 3 O O N O Cl HN S O O H 3 C IC50 = 130.0 nM 559.09 Cc1c(N2CCN(C)[C@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4451401 OBDepict CH 3 N N CH 3 O O N O HN S O O H 3 C IC50 = 200.0 nM 510.62 Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)cc1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4467997 OBDepict CH 3 N N O O N O O HO IC50 = 320.0 nM 447.49 CN1CCN(c2ccc3c4c(c(=O)oc3c2)CN(C(=O)c2ccc(C(=O)O)cc2)CC4)CC1 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4526400 OBDepict CH 3 N CH 3 O O O N O O HO IC50 = 340.0 nM 436.46 CN(C)CCOc1ccc2c3c(c(=O)oc2c1)CN(C(=O)c1ccc(C(=O)O)cc1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4460238 OBDepict CH 3 N CH 3 O O N O O HO IC50 = 340.0 nM 482.54 CN(C)Cc1ccc(-c2ccc3c4c(c(=O)oc3c2)CN(C(=O)c2ccc(C(=O)O)cc2)CC4)cc1 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4458187 OBDepict CH 3 N H 3 C O O O N O O HO IC50 = 360.0 nM 450.49 CN(C)CCCOc1ccc2c3c(c(=O)oc2c1)CN(C(=O)c1ccc(C(=O)O)cc1)CC3 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4472668 OBDepict CH 3 N O O O N O O HO IC50 = 390.0 nM 462.5 CN1CCC(Oc2ccc3c4c(c(=O)oc3c2)CN(C(=O)c2ccc(C(=O)O)cc2)CC4)CC1 Homo sapiens CHEMBL4338134 single protein format
CHEMBL4438430 OBDepict CH 3 O NH S N O O O H 3 C O O CH 3 N N H 3 C IC50 = 400.0 nM 540.64 COc1cc(C(=O)N2CCc3c(c(=O)oc4c(C)c(N5CCN(C)CC5)ccc34)C2)ccc1NS(C)(=O)=O Homo sapiens CHEMBL4338134 single protein format
CHEMBL4592118 OBDepict CH 3 N N CH 3 O O N O H 3 C HN S O O H 3 C IC50 = 530.0 nM 524.64 Cc1cc(C(=O)N2CCc3c(c(=O)oc4c(C)c(N5CCN(C)CC5)ccc34)C2)ccc1NS(C)(=O)=O Homo sapiens CHEMBL4338134 single protein format
CHEMBL1233930 OBDepict OH O N H H O HO O N O N H NH HO N N NH 2 IC50 = 663.0 nM 471.43 Nc1nc(O)c2c(n1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)C(=O)N21 Homo sapiens CHEMBL4434260 assay format
CHEMBL4540255 OBDepict O N Cl N O N O OH H IC50 = 940.0 nM 409.83 O=C(O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)cc1Cl Homo sapiens CHEMBL4434262 single protein format