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O60427 | FADS1_HUMAN | Acyl-CoA (8-3)-desaturase (FADS1)

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
CHEMBL4084502 OBDepict N Cl N O O H CH 3 H F IC50 = 0.52 nM 330.75 C[C@H]1[C@H](c2ccc(F)cc2)OC(=O)N1c1cc(Cl)cc(C#N)c1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL4856454 OBDepict F N N O F F F N N F F F IC50 = 1.1 nM 394.25 O=c1c(-c2cnn(CCC(F)(F)F)c2)c(C(F)(F)F)nc2ccc(F)cn12 Homo sapiens CHEMBL4837102 cell membrane format
CHEMBL4879015 OBDepict CH 3 Cl N N O F F F N N F F F F F IC50 = 1.2 nM 460.71 Cc1cc2nc(C(F)(F)F)c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(=O)n2cc1Cl Homo sapiens CHEMBL4837102 cell membrane format
CHEMBL4064555 OBDepict N N N O O H CH 3 H F IC50 = 1.5 nM 321.31 C[C@H]1[C@H](c2ccc(F)cc2)OC(=O)N1c1cc(C#N)cc(C#N)c1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL4874614 OBDepict F N O CH 3 N N O F F F N N F F F F F IC50 = 1.6 nM 487.28 CN(C(=O)F)c1ccn2c(=O)c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(C(F)(F)F)nc2c1 Homo sapiens CHEMBL4837102 cell membrane format
CHEMBL4872983 OBDepict CH 3 N N O F F F N N F F F F F IC50 = 1.7 nM 426.27 Cc1ccc2nc(C(F)(F)F)c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(=O)n2c1 Homo sapiens CHEMBL4837102 cell membrane format
CHEMBL4439992 OBDepict H 3 C N H O S N N O S O F F F IC50 = 1.9 nM 443.47 CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 Homo sapiens CHEMBL4433174 cell-based format
CHEMBL4855704 OBDepict F N N O F F F N N F F F F F IC50 = 2.1 nM 430.23 O=c1c(-c2cnn(CC(F)(F)C(F)(F)F)c2)c(C(F)(F)F)nc2ccc(F)cn12 Homo sapiens CHEMBL4837102 cell membrane format
CHEMBL4868627 OBDepict Cl N N O F F F N N F F F IC50 = 2.4 nM 410.7 O=c1c(-c2cnn(CCC(F)(F)F)c2)c(C(F)(F)F)nc2ccc(Cl)cn12 Homo sapiens CHEMBL4837102 cell membrane format
CHEMBL4102458 OBDepict N F N O O H CH 3 H F IC50 = 3.7 nM 314.29 C[C@H]1[C@H](c2ccc(F)cc2)OC(=O)N1c1cc(F)cc(C#N)c1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL4060775 OBDepict CH 3 O N O O F IC50 = 4.1 nM 287.29 COc1cccc(N2CC(c3ccc(F)cc3)OC2=O)c1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL3608796 OBDepict Cl N H N N H Cl IC50 = 5.0 nM 278.14 Clc1cccc(Nc2n[nH]c3ccc(Cl)cc23)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608798 OBDepict Cl N H N N H CH 3 IC50 = 6.0 nM 257.72 Cc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608800 OBDepict CH 3 O N N H N H Cl IC50 = 8.0 nM 273.72 COc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL4070383 OBDepict N N O O H CH 3 H F IC50 = 8.7 nM 296.3 C[C@H]1[C@H](c2ccc(F)cc2)OC(=O)N1c1cccc(C#N)c1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL329672 OBDepict Cl N H N N IC50 = 11.0 nM 255.71 Clc1cccc(Nc2ncnc3ccccc23)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608697 OBDepict H 3 C O OH N H O Cl IC50 = 15.0 nM 277.71 COc1ccc(O)c(C(=O)Nc2cccc(Cl)c2)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608700 OBDepict Cl N H IC50 = 17.0 nM 253.73 Clc1cccc(Nc2cccc3ccccc23)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL4090490 OBDepict CH 3 O N O O O CH 3 F IC50 = 18.0 nM 317.32 COc1ccc(OC)c(N2CC(c3ccc(F)cc3)OC2=O)c1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL3608699 OBDepict Cl N H N IC50 = 18.0 nM 254.72 Clc1cccc(Nc2ccnc3ccccc23)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608797 OBDepict Cl N H N N H Br IC50 = 21.0 nM 322.59 Clc1cccc(Nc2n[nH]c3ccc(Br)cc23)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608696 OBDepict Cl N H O NH 2 Cl IC50 = 34.0 nM 281.14 Nc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608702 OBDepict Cl N H N S N IC50 = 50.0 nM 261.74 Clc1cccc(Nc2ncnc3ccsc23)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL4104260 OBDepict F O N O Cl IC50 = 55.0 nM 291.71 O=C1OC(c2ccc(F)cc2)CN1c1cccc(Cl)c1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL2263368 OBDepict Cl N H O NH 2 IC50 = 58.0 nM 246.7 Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608795 OBDepict Cl N H N N H F IC50 = 58.0 nM 261.69 Fc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608794 OBDepict F N H N N H IC50 = 59.0 nM 227.24 Fc1cccc(Nc2n[nH]c3ccccc23)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL4066595 OBDepict N N O O H F IC50 = 60.0 nM 282.27 N#Cc1cccc(N2C[C@H](c3ccc(F)cc3)OC2=O)c1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL3608695 OBDepict F NH 2 HN O Cl IC50 = 67.0 nM 264.69 Nc1ccc(F)cc1C(=O)Nc1cccc(Cl)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608793 OBDepict Cl N H N N H IC50 = 84.0 nM 243.7 Clc1cccc(Nc2n[nH]c3ccccc23)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL4069465 OBDepict F O N O Cl Cl IC50 = 150.0 nM 340.18 O=C1OC(c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1Cl Homo sapiens CHEMBL4026560 cell-based format
CHEMBL2263369 OBDepict O N H H 2 N Cl F IC50 = 155.0 nM 264.69 Nc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL4087912 OBDepict N N O O F IC50 = 170.0 nM 282.27 N#Cc1cccc(N2CC(c3ccc(F)cc3)OC2=O)c1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL4080025 OBDepict F O N O F IC50 = 170.0 nM 275.25 O=C1OC(c2ccc(F)cc2)CN1c1cccc(F)c1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL3608704 OBDepict Cl N H IC50 = 173.0 nM 243.74 Clc1cccc(NC2CCc3ccccc32)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL460481 OBDepict Cl N H O OH IC50 = 174.0 nM 247.68 O=C(Nc1cccc(Cl)c1)c1ccccc1O Homo sapiens CHEMBL3611102 assay format
CHEMBL4085437 OBDepict F O N O IC50 = 190.0 nM 257.26 O=C1OC(c2ccc(F)cc2)CN1c1ccccc1 Homo sapiens CHEMBL4026560 cell-based format
CHEMBL3608803 OBDepict Cl N H Cl O NH 2 IC50 = 245.0 nM 281.14 Nc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608799 OBDepict Cl N H N N H F F F IC50 = 254.0 nM 311.69 FC(F)(F)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608703 OBDepict Cl N H N N S IC50 = 260.0 nM 261.74 Clc1cccc(Nc2ncnc3sccc23)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608701 OBDepict Cl N H N O IC50 = 371.0 nM 244.68 Clc1cccc(Nc2nccc3occc23)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608693 OBDepict F N H O NH 2 IC50 = 516.0 nM 230.24 Nc1ccccc1C(=O)Nc1cccc(F)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608694 OBDepict O N H NH 2 CH 3 H 3 C IC50 = 843.0 nM 254.33 CC(C)c1cccc(NC(=O)c2ccccc2N)c1 Homo sapiens CHEMBL3611102 assay format
CHEMBL3608698 OBDepict CH 3 O OH N H O Cl IC50 = 925.0 nM 291.73 CCOc1ccc(O)c(C(=O)Nc2cccc(Cl)c2)c1 Homo sapiens CHEMBL3611102 assay format