HOME LIGAND hPROTEOME OTHERS DOCUMENT

P53985 | MOT1_HUMAN | Monocarboxylate transporter 1 (SLC16A1)

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
CHEMBL218573 OBDepict CH 3 H 3 C N S O N CH 3 O N O O F F F H OH Ki = 0.09 nM 511.52 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)CO3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL910522 single protein format
CHEMBL380192 OBDepict OH S N O N N CH 3 H 3 C CH 3 Ki = 0.1 nM 435.59 CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12 Homo sapiens CHEMBL861195 single protein format
CHEMBL205526 OBDepict OH S S N O N CH 3 O H 3 C CH 3 Ki = 0.28 nM 468.64 CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)c(Cc3cccc4ccccc34)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL379682 OBDepict CH 3 H 3 C N S O N CH 3 S O H F F F H HO Ki = 0.29 nM 512.62 CC(C)Cn1c(=O)n(C)c(=O)c2c(S[C@@H]3CC[C@@H](O)C3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL219098 OBDepict CH 3 H 3 C N S O N CH 3 O O N O H OH Ki = 0.31 nM 493.59 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Oc3cccc4ccccc34)sc21 Homo sapiens CHEMBL910522 single protein format
CHEMBL85752 OBDepict OH S N N O N CH 3 O H 3 C CH 3 Ki = 0.33 nM 451.59 CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL204887 OBDepict OH S S N O N CH 3 O F F F H 3 C CH 3 Ki = 0.35 nM 486.58 CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL205845 OBDepict CH 3 H 3 C N S O N CH 3 S O H F F F H HO Ki = 0.42 nM 512.62 CC(C)Cn1c(=O)n(C)c(=O)c2c(S[C@@H]3CC[C@H](O)C3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL384536 OBDepict H 3 C CH 3 N S O N H 3 C O N O O N H N H HO Ki = 0.43 nM 483.55 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)CO3)c(Cc3c[nH]c4ncccc34)sc21 Homo sapiens CHEMBL910522 single protein format
CHEMBL219861 OBDepict H 3 C CH 3 N S O N H 3 C O N O O N H HO Ki = 0.52 nM 494.57 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)CO3)c(Cc3ccnc4ccccc34)sc21 Homo sapiens CHEMBL910522 single protein format
CHEMBL381601 OBDepict CH 3 H 3 C N S O N CH 3 S O H F F F H HO H HO Ki = 0.68 nM 528.62 CC(C)Cn1c(=O)n(C)c(=O)c2c(S[C@H]3C[C@H](O)[C@H](O)C3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL205807 OBDepict H 3 C CH 3 N S O N H 3 C O N O N H H HO Ki = 0.79 nM 480.59 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3c[nH]c4ccccc34)sc21 Homo sapiens CHEMBL869601 single protein format
CHEMBL218468 OBDepict CH 3 H 3 C N S O N CH 3 O N O N H OH F Ki = 0.81 nM 510.59 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3ccnc4ccc(F)cc34)sc21 Homo sapiens CHEMBL910522 single protein format
CHEMBL378405 OBDepict H 3 C H 3 C N S O N CH 3 O S N O O H HO F F F Ki = 1.1 nM 545.61 CC(C)Cn1c(=O)n(C)c(=O)c2c(S(=O)(=O)N3CC[C@@H](O)C3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL375166 OBDepict CH 3 CH 3 N S O N H 3 C O N O O H 3 C N H 3 C N H H HO Ki = 1.2 nM 461.54 Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C Homo sapiens CHEMBL910522 single protein format
CHEMBL218628 OBDepict CH 3 HN N N S N N O O O N O H 3 C CH 3 CH 3 H HO Ki = 1.7 nM 512.59 CNc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C Homo sapiens CHEMBL910522 single protein format
CHEMBL206229 OBDepict CH 3 CH 3 N S O N CH 3 S O CH 3 H 3 C F F F Ki = 2.2 nM 470.58 CC(C)Cn1c(=O)n(C)c(=O)c2c(SC(C)C)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL204848 OBDepict H 3 C CH 3 N S O N CH 3 S O H H HO F F F Ki = 2.7 nM 512.62 CC(C)Cn1c(=O)n(C)c(=O)c2c(S[C@@H]3CCC[C@H]3O)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL383696 OBDepict CH 3 CH 3 N S O N CH 3 S O F F F Ki = 3.2 nM 496.62 CC(C)Cn1c(=O)n(C)c(=O)c2c(SC3CCCC3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL387125 OBDepict H 3 C O N CH 3 O S N N O N H 3 C CH 3 N Cl O Cl H 3 C CH 3 Ki = 3.2 nM 488.4 CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2c1c(=O)n(C)c(=O)n2CC(C)C Homo sapiens CHEMBL910522 single protein format
CHEMBL439871 OBDepict CH 3 H 3 C N S O N CH 3 O N O F F F CH 3 OH Ki = 3.5 nM 509.55 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC(C)(O)C3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL207100 OBDepict CH 3 H 3 C N S O N CH 3 O N O N H OH Ki = 3.9 nM 492.6 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3cncc4ccccc34)sc21 Homo sapiens CHEMBL869601 single protein format
CHEMBL205092 OBDepict H 3 C CH 3 N S O N H 3 C O N O N H N H HO Ki = 4.7 nM 481.58 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3c[nH]c4ncccc34)sc21 Homo sapiens CHEMBL869601 single protein format
CHEMBL205742 OBDepict CH 3 H 3 C N S O N CH 3 O N O N H OH Ki = 4.8 nM 492.6 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3ccnc4ccccc34)sc21 Homo sapiens CHEMBL869601 single protein format
CHEMBL208487 OBDepict H 3 C CH 3 N S O N H 3 C O N O F F F H HO Ki = 4.9 nM 509.55 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL204476 OBDepict CH 3 H 3 C N S O N CH 3 O N O N H OH Ki = 5.3 nM 492.6 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3cccc4ncccc34)sc21 Homo sapiens CHEMBL869601 single protein format
CHEMBL383669 OBDepict CH 3 H 3 C N S O N CH 3 O N O F F F Ki = 5.5 nM 493.55 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CCCC3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL381098 OBDepict H 3 C S S N O N CH 3 O F F F CH 3 H 3 C Ki = 6.0 nM 456.56 CCSc1c(Cc2ccccc2C(F)(F)F)sc2c1c(=O)n(C)c(=O)n2CC(C)C Homo sapiens CHEMBL861195 single protein format
CHEMBL377309 OBDepict CH 3 CH 3 N S O N CH 3 S O F F F Ki = 6.0 nM 510.65 CC(C)Cn1c(=O)n(C)c(=O)c2c(SC3CCCCC3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL205364 OBDepict HO HO S S N O N H 3 C O F F F CH 3 H 3 C Ki = 6.5 nM 502.58 CC(C)Cn1c(=O)n(C)c(=O)c2c(SCC(O)CO)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL426851 OBDepict CH 3 HN N N S N N O O N O H 3 C CH 3 CH 3 H OH Ki = 6.6 nM 510.62 CNc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1CC[C@@H](O)C1)c(=O)n(C)c(=O)n2CC(C)C Homo sapiens CHEMBL869601 single protein format
CHEMBL205465 OBDepict H 3 C CH 3 N S O N H 3 C O N O F F F Ki = 8.7 nM 507.58 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CCCCC3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL380673 OBDepict H 3 C CH 3 N S O N H 3 C O N O F F F Ki = 9.2 nM 479.52 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CCC3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL379399 OBDepict H 3 C H 3 C N S O N CH 3 O S O O H H HO F F F Ki = 12.0 nM 544.62 CC(C)Cn1c(=O)n(C)c(=O)c2c(S(=O)(=O)[C@@H]3CC[C@H](O)C3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL205289 OBDepict H 3 C CH 3 N S O N H 3 C S O F F F Ki = 13.0 nM 482.59 CC(C)Cn1c(=O)n(C)c(=O)c2c(SC3CCC3)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL204772 OBDepict CH 3 CH 3 N S O N H 3 C O N N O H 3 C N H HO Ki = 16.0 nM 495.61 Cc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1CC[C@@H](O)C1)c(=O)n(C)c(=O)n2CC(C)C Homo sapiens CHEMBL869601 single protein format
CHEMBL1221509 OBDepict _ N + N N I N N O N H 3 C CH 3 CH 3 Ki = 23.0 nM 460.3 CC(C)Cc1nn(C)c(=O)c2cn(Cc3ccc(N=[N+]=[N-])c([125I])c3)cc12 Homo sapiens CHEMBL1226686 cell-based format
CHEMBL205245 OBDepict H 3 C CH 3 N S O N CH 3 O N N O CH 3 N Cl Cl H OH Ki = 26.0 nM 514.44 Cc1nc(Cl)c(Cl)n1Cc1sc2c(c1C(=O)N1CC[C@@H](O)C1)c(=O)n(C)c(=O)n2CC(C)C Homo sapiens CHEMBL869601 single protein format
CHEMBL373974 OBDepict H 3 C CH 3 N S O N H 3 C O N O N H HO H HO Ki = 29.0 nM 508.6 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)[C@H](O)C3)c(Cc3ccnc4ccccc34)sc21 Homo sapiens CHEMBL910522 single protein format
CHEMBL208330 OBDepict CH 3 H 3 C N S O N CH 3 O N O CH 3 CH 3 F F F Ki = 37.0 nM 467.51 CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N(C)C)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL861195 single protein format
CHEMBL219483 OBDepict CH 3 N H N N S N N O O N O H 3 C H 3 C CH 3 Ki = 59.0 nM 480.59 CNc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1CCC1)c(=O)n(C)c(=O)n2CC(C)C Homo sapiens CHEMBL910522 single protein format
CHEMBL380192 OBDepict OH S N O N N CH 3 H 3 C CH 3 IC50 = 105.0 nM 435.59 CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12 Homo sapiens CHEMBL3363651 cell-based format
CHEMBL3326270 OBDepict OH N N N O N CH 3 O H 3 C CH 3 IC50 = 116.0 nM 458.56 CC(C)Cn1c(=O)n(C)c(=O)c2nc(/C=CCCCO)c(Cc3cccc4ccccc34)nc21 Homo sapiens CHEMBL3363651 cell-based format
CHEMBL219311 OBDepict CH 3 N CH 3 O S N O N CH 3 H 3 C CH 3 O F F F Ki = 117.0 nM 453.49 CC(C)n1c(=O)n(C)c(=O)c2c(C(=O)N(C)C)c(Cc3ccccc3C(F)(F)F)sc21 Homo sapiens CHEMBL910522 single protein format
CHEMBL3326265 OBDepict OH N N N O N CH 3 O H 3 C CH 3 IC50 = 192.0 nM 460.58 CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(Cc3cccc4ccccc34)nc21 Homo sapiens CHEMBL3363651 cell-based format
CHEMBL3326256 OBDepict OH N O N N O N CH 3 O CH 3 H 3 C IC50 = 548.0 nM 462.55 CC(C)Cn1c(=O)n(C)c(=O)c2c1nc(Cc1cccc3ccccc13)c(=O)n2CCCCO Homo sapiens CHEMBL3363651 cell-based format
CHEMBL3326259 OBDepict OH S N N N O N CH 3 O H 3 C CH 3 IC50 = 669.0 nM 478.62 CC(C)Cn1c(=O)n(C)c(=O)c2nc(SCCCCO)c(Cc3cccc4ccccc34)nc21 Homo sapiens CHEMBL3363651 cell-based format
CHEMBL3326252 OBDepict OH S N N N O N CH 3 O H 3 C CH 3 IC50 = 858.0 nM 464.59 CC(C)Cn1c(=O)n(C)c(=O)c2nc(SCCCO)c(Cc3cccc4ccccc34)nc21 Homo sapiens CHEMBL3363651 cell-based format