HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q8NHU3 | SMS2_HUMAN | Phosphatidylcholine:ceramide cholinephosphotransferase 2 (SGMS2)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4203399 OBDepict Cl O Cl N NH O N IC50 = 90.0 nM 386.24 Clc1cccc(Cl)c1COc1cccc2onc(Nc3cccnc3)c12 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4204352 OBDepict F Cl O N N H O N IC50 = 100.0 nM 369.78 Fc1ccc(Cl)c(COc2cccc3onc(Nc4cccnc4)c23)c1 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4214637 OBDepict Cl O N N H O N IC50 = 100.0 nM 351.79 Clc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4207944 OBDepict F O F F O N N H O N IC50 = 110.0 nM 401.34 FC(F)(F)Oc1ccccc1COc1cccc2onc(Nc3cccnc3)c12 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4634669 OBDepict CH 3 N O O O N CH 3 F F F F F F F F F IC50 = 120.0 nM 568.44 CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(OCCCC(F)(F)F)c2ccccc2n(C)c1=O Homo sapiens CHEMBL4628266 cell-based format
CHEMBL4202436 OBDepict H 3 C O CH 3 N NH O N IC50 = 150.0 nM 345.4 Cc1cccc(C)c1COc1cccc2onc(Nc3cccnc3)c12 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4206801 OBDepict F O N N H O N IC50 = 160.0 nM 335.34 Fc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4205965 OBDepict CH 3 O N N H O N IC50 = 190.0 nM 331.38 Cc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4634697 OBDepict CH 3 N O O O N CH 3 F F F F F F IC50 = 210.0 nM 576.54 CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(OCCCc2ccccc2)c2ccccc2n(C)c1=O Homo sapiens CHEMBL4628266 cell-based format
CHEMBL4211357 OBDepict H 3 C O O N N H O N IC50 = 240.0 nM 347.37 COc1ccccc1COc1cccc2onc(Nc3cccnc3)c12 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4217275 OBDepict H 3 C O N N H O N IC50 = 240.0 nM 345.4 CCc1ccccc1COc1cccc2onc(Nc3cccnc3)c12 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4202973 OBDepict Cl O N N H O N IC50 = 270.0 nM 351.79 Clc1ccccc1COc1cccc2onc(Nc3cccnc3)c12 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4212291 OBDepict O N N H O N IC50 = 340.0 nM 317.35 c1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4637599 OBDepict CH 3 H 3 C O N O O N H 3 C H 3 C F F F F F F IC50 = 350.0 nM 528.49 CC(C)CCOc1c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)n(C)c2ccccc12 Homo sapiens CHEMBL4628266 cell-based format
CHEMBL4649105 OBDepict H 3 C N O O O N H 3 C F F F F F F O IC50 = 380.0 nM 592.54 CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(OCCOCc2ccccc2)c2ccccc2n(C)c1=O Homo sapiens CHEMBL4628266 cell-based format
CHEMBL4544787 OBDepict CH 3 O O Cl N H O N IC50 = 430.0 nM 452.98 CCCCCCCOc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1 Homo sapiens CHEMBL4412720 subcellular format
CHEMBL4162182 OBDepict CH 3 N O N O N CH 3 F F F F F F IC50 = 470.0 nM 511.47 CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(N2CCCC2)c2ccccc2n(C)c1=O Homo sapiens CHEMBL4139289 cell-based format
CHEMBL4217676 OBDepict CH 3 O N N H O N IC50 = 470.0 nM 331.38 Cc1ccccc1COc1cccc2onc(Nc3cccnc3)c12 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4472866 OBDepict Cl O O N H O N IC50 = 470.0 nM 438.96 O=C(Nc1cccnc1)c1ccccc1OCc1ccccc1OCCCCCCCl Homo sapiens CHEMBL4412720 subcellular format
CHEMBL4638097 OBDepict CH 3 N O O O N CH 3 F F F F F F IC50 = 480.0 nM 582.58 CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(OCCCC2CCCCC2)c2ccccc2n(C)c1=O Homo sapiens CHEMBL4628266 cell-based format
CHEMBL4452926 OBDepict H 3 C O O Cl HN O N IC50 = 520.0 nM 438.96 CCCCCCOc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1 Homo sapiens CHEMBL4412720 subcellular format
CHEMBL4216327 OBDepict CH 3 O O N N H O N IC50 = 520.0 nM 347.37 COc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4448125 OBDepict CH 3 O O Cl N H O N IC50 = 670.0 nM 368.82 COc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1 Homo sapiens CHEMBL4412720 subcellular format
CHEMBL4558411 OBDepict Cl O O N H O N IC50 = 670.0 nM 424.93 O=C(Nc1cccnc1)c1ccccc1OCc1ccccc1OCCCCCCl Homo sapiens CHEMBL4412720 subcellular format
CHEMBL4211679 OBDepict F O N N H O N IC50 = 670.0 nM 335.34 Fc1ccccc1COc1cccc2onc(Nc3cccnc3)c12 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4559796 OBDepict O N H O N Cl Cl IC50 = 690.0 nM 373.24 O=C(Nc1cccnc1)c1ccccc1OCc1c(Cl)cccc1Cl Homo sapiens CHEMBL4412720 subcellular format
CHEMBL4462317 OBDepict F Cl O N H O N IC50 = 740.0 nM 356.78 O=C(Nc1cccnc1)c1ccccc1OCc1cc(F)ccc1Cl Homo sapiens CHEMBL4412720 subcellular format
CHEMBL4565783 OBDepict F CH 3 O N H O N IC50 = 740.0 nM 336.37 Cc1ccc(F)cc1COc1ccccc1C(=O)Nc1cccnc1 Homo sapiens CHEMBL4412720 subcellular format
CHEMBL4210244 OBDepict F O F N NH O N IC50 = 740.0 nM 353.33 Fc1cccc(F)c1COc1cccc2onc(Nc3cccnc3)c12 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4540510 OBDepict CH 3 O N H O N IC50 = 880.0 nM 332.4 CCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1 Homo sapiens CHEMBL4412720 subcellular format
CHEMBL4568145 OBDepict O N H O N CH 3 CH 3 IC50 = 890.0 nM 332.4 Cc1cccc(C)c1COc1ccccc1C(=O)Nc1cccnc1 Homo sapiens CHEMBL4412720 subcellular format
CHEMBL4203583 OBDepict N O N N H O N IC50 = 960.0 nM 342.36 N#Cc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1 Homo sapiens CHEMBL4200192 single protein format
CHEMBL4450070 OBDepict Cl Cl O N H O N IC50 = 990.0 nM 373.24 O=C(Nc1cccnc1)c1ccccc1OCc1cc(Cl)ccc1Cl Homo sapiens CHEMBL4412720 subcellular format
CHEMBL489354 OBDepict OH O OH OH IC50 = 1000.0 nM 342.43 O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O Homo sapiens CHEMBL4399508 cell-based format
CHEMBL524100 OBDepict OH OH O HO OH IC50 = 1000.0 nM 358.43 O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O Homo sapiens CHEMBL4399508 cell-based format
CHEMBL1254269 OBDepict O OH OH IC50 = 1000.0 nM 326.44 O=C(CCCCCCCCc1ccccc1)c1c(O)cccc1O Homo sapiens CHEMBL4399508 cell-based format