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Q96NT5 | PCFT_HUMAN | Proton-coupled folate transporter (SLC46A1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4445651 OBDepict OH O NH H O HO O S F N H N O N H H 2 N IC50 = 1.5 nM 465.46 Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3F)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309287 cell-based format
CHEMBL1834488 OBDepict OH O NH H O HO O S N H N O N H H 2 N IC50 = 3.34 nM 447.47 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3387475 cell-based format
CHEMBL4538151 OBDepict HO O N H H O OH O F N H N O N H H 2 N IC50 = 3.82 nM 459.43 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309287 cell-based format
CHEMBL3628344 OBDepict OH O NH H O HO O S N H N O N H H 2 N IC50 = 5.39 nM 447.47 Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3632256 cell-based format
CHEMBL4465095 OBDepict HO O N H H O OH O S F N H N O N H H 2 N IC50 = 6.0 nM 479.49 Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3F)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309287 cell-based format
CHEMBL3628346 OBDepict HO O N H H O OH O S N H N O N H H 2 N IC50 = 6.51 nM 447.47 Nc1nc2[nH]c(CCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3632256 cell-based format
CHEMBL225072 OBDepict HO O HN H O OH O N H N O N H H 2 N IC50 = 13.2 nM 427.42 Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1 Homo sapiens CHEMBL3387475 cell-based format
CHEMBL4540298 OBDepict OH O NH H O HO O F N H N O N H NH 2 IC50 = 23.0 nM 473.46 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309287 cell-based format
CHEMBL192632 OBDepict HO O N H H O OH O N H N O N H H 2 N IC50 = 23.0 nM 441.44 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309287 cell-based format
CHEMBL2158681 OBDepict HO O N H H O OH O S N H N O N H H 2 N IC50 = 41.5 nM 461.5 Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309287 cell-based format
CHEMBL590740 OBDepict HO O N H H O OH O S N H N O N H H 2 N IC50 = 43.4 nM 461.5 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3412692 cell-based format
CHEMBL4435608 OBDepict HO O NH H O OH O N O CH 3 N H N O N H NH 2 IC50 = 48.6 nM 470.44 CN(Cc1cc2c(=O)[nH]c(N)nc2[nH]1)C(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL4410582 cell-based format
CHEMBL1201746 OBDepict HC N N N H O N H 2 N N H NH 2 O HO O OH IC50 = 57.0 nM 477.48 C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL4194632 cell-based format
CHEMBL3409336 OBDepict OH O N H H O HO O S N H N O N H NH 2 IC50 = 57.4 nM 475.53 Nc1nc2[nH]cc(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1 Homo sapiens CHEMBL3412692 cell-based format
CHEMBL4447805 OBDepict HO O N H H O OH O O N H N O N H H 2 N IC50 = 57.5 nM 443.42 Nc1nc2[nH]c(CCOc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432144 cell-based format
CHEMBL4214638 OBDepict HO O HN H O OH O N N H N O N H H 2 N IC50 = 57.6 nM 456.46 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4194632 cell-based format
CHEMBL4557278 OBDepict OH O NH H O HO O N F N H N O N H NH 2 IC50 = 67.0 nM 474.45 Nc1nc2[nH]c(CCCCc3cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309287 cell-based format
CHEMBL4445651 OBDepict OH O NH H O HO O S F N H N O N H H 2 N Ki = 70.0 nM 465.46 Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3F)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309294 cell-based format
CHEMBL3407519 OBDepict HO O HN H O OH O S N H N O N H NH 2 IC50 = 80.2 nM 433.45 Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1 Homo sapiens CHEMBL3412692 cell-based format
CHEMBL4761741 OBDepict OH O N H H O HO O S S N O N NH 2 H IC50 = 80.45 nM 464.53 Nc1nc2sc(CCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4714600 cell-based format
CHEMBL4444011 OBDepict OH O N H H O HO O N O H 3 C N H N O N H H 2 N IC50 = 81.7 nM 484.47 CC(=O)N(CCc1cc2c(=O)[nH]c(N)nc2[nH]1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL4432144 cell-based format
CHEMBL4437824 OBDepict HO O N H H O OH O N H N H N O N H H 2 N IC50 = 87.4 nM 442.43 Nc1nc2[nH]c(CCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432144 cell-based format
CHEMBL4471269 OBDepict O N N H HN O N O N H H NH 2 O HO O OH IC50 = 88.5 nM 470.44 Nc1nc2[nH]c(CCN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432144 cell-based format
CHEMBL225072 OBDepict HO O HN H O OH O N H N O N H H 2 N Ki = 96.0 nM 427.42 Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1 Homo sapiens CHEMBL1067647 cell-based format
CHEMBL225071 OBDepict OH O N H H O HO O S N CH 3 N O N H H 3 C IC50 = 99.5 nM 458.5 Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1 Homo sapiens CHEMBL3387475 cell-based format
CHEMBL605580 OBDepict HO O N H H O HO O S N H N O N H NH 2 Ki = 100.0 nM 475.53 Nc1nc2[nH]c(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1067647 cell-based format
CHEMBL4759798 OBDepict OH O NH H O HO O S S N O N H 2 N H IC50 = 107.29 nM 464.53 Nc1nc2sc(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4714600 cell-based format
CHEMBL4553188 OBDepict HO O NH H O OH O N O F F F N H N O N H NH 2 IC50 = 109.0 nM 538.44 Nc1nc2[nH]c(CCN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432144 cell-based format
CHEMBL34259 OBDepict OH O HN H O HO O N CH 3 N N N NH 2 N H 2 N IC50 = 120.5 nM 454.45 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL3387475 cell-based format
CHEMBL590740 OBDepict HO O N H H O OH O S N H N O N H H 2 N Ki = 130.0 nM 461.5 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1067647 cell-based format
CHEMBL1834488 OBDepict OH O NH H O HO O S N H N O N H H 2 N Ki = 130.0 nM 447.47 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1837099 cell-based format
CHEMBL3409335 OBDepict HO O HN H O OH O S N H N O N H NH 2 IC50 = 141.0 nM 461.5 Nc1nc2[nH]cc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1 Homo sapiens CHEMBL3412692 cell-based format
CHEMBL4540298 OBDepict OH O NH H O HO O F N H N O N H NH 2 Ki = 170.0 nM 473.46 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309294 cell-based format
CHEMBL4441626 OBDepict OH O NH H O HO O F N H N O N H NH 2 IC50 = 207.0 nM 473.46 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3F)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309287 cell-based format
CHEMBL365307 OBDepict HO O HN H O OH O N H N O N H H 2 N IC50 = 213.0 nM 455.47 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4194632 cell-based format
CHEMBL4465095 OBDepict HO O N H H O OH O S F N H N O N H H 2 N Ki = 250.0 nM 479.49 Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3F)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309294 cell-based format
CHEMBL4538151 OBDepict HO O N H H O OH O F N H N O N H H 2 N Ki = 260.0 nM 459.43 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309294 cell-based format
CHEMBL4467936 OBDepict HO O N H H O OH O S N H N O N H H 2 N IC50 = 267.0 nM 459.48 Nc1nc2[nH]c(CCSc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432144 cell-based format
CHEMBL3628344 OBDepict OH O NH H O HO O S N H N O N H H 2 N Ki = 280.0 nM 447.47 Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309294 cell-based format
CHEMBL3409334 OBDepict OH O N H H O HO O S N H N O N H NH 2 IC50 = 312.0 nM 447.47 Nc1nc2[nH]cc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1 Homo sapiens CHEMBL3412692 cell-based format
CHEMBL4214638 OBDepict HO O HN H O OH O N N H N O N H H 2 N Ki = 332.0 nM 456.46 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4194644 cell-based format
CHEMBL2158681 OBDepict HO O N H H O OH O S N H N O N H H 2 N Ki = 390.0 nM 461.5 Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL2161356 cell-based format
CHEMBL2158682 OBDepict OH O NH H O HO O S N H N O N H NH 2 Ki = 420.0 nM 461.5 Nc1nc2[nH]c(CCCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cc2c(=O)[nH]1 Homo sapiens CHEMBL2161356 cell-based format
CHEMBL365307 OBDepict HO O HN H O OH O N H N O N H H 2 N Ki = 460.0 nM 455.47 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4194644 cell-based format
CHEMBL4557278 OBDepict OH O NH H O HO O N F N H N O N H NH 2 Ki = 460.0 nM 474.45 Nc1nc2[nH]c(CCCCc3cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309294 cell-based format
CHEMBL4755197 OBDepict HO O N H H O HO O S S N O N H 2 N H IC50 = 460.21 nM 478.55 Nc1nc2sc(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4714600 cell-based format
CHEMBL192632 OBDepict HO O N H H O OH O N H N O N H H 2 N Ki = 630.0 nM 441.44 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309294 cell-based format
CHEMBL4447805 OBDepict HO O N H H O OH O O N H N O N H H 2 N Ki = 640.0 nM 443.42 Nc1nc2[nH]c(CCOc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432157 cell-based format
CHEMBL4471269 OBDepict O N N H HN O N O N H H NH 2 O HO O OH Ki = 730.0 nM 470.44 Nc1nc2[nH]c(CCN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432157 cell-based format
CHEMBL4562619 OBDepict HO O N H H O OH O N O CH 3 N H N O N H NH 2 IC50 = 747.0 nM 470.44 CN(Cc1cc2c(=O)[nH]c(N)nc2[nH]1)C(=O)c1cccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1 Homo sapiens CHEMBL4410582 cell-based format
CHEMBL4553188 OBDepict HO O NH H O OH O N O F F F N H N O N H NH 2 Ki = 800.0 nM 538.44 Nc1nc2[nH]c(CCN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432157 cell-based format
CHEMBL4437824 OBDepict HO O N H H O OH O N H N H N O N H H 2 N Ki = 850.0 nM 442.43 Nc1nc2[nH]c(CCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432157 cell-based format