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P18054 | LOX12_HUMAN | Polyunsaturated fatty acid lipoxygenase ALOX12 (ALOX12)

3D structures mapped by conservation among orthologs

[ Domain: "Lipoxygenase" // Lipoxygenase ]

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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
CHEMBL4869861 OBDepict H 3 C O OH N H S HN O O S N IC50 = 50.0 nM 491.59 COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4c(ccc5ccccc54)s3)cc2)c1O Homo sapiens CHEMBL4839675 single protein format
CHEMBL7660 OBDepict O HN N IC50 = 100.0 nM 162.19 O=C1CCN(c2ccccc2)N1 Homo sapiens CHEMBL615237 assay format
CHEMBL222808 OBDepict O O O OH HO O OH OH IC50 = 150.0 nM 430.37 O=C(O)c1cc(C(=O)C(=O)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2c1O Homo sapiens CHEMBL898687 single protein format
CHEMBL3113197 OBDepict CH 3 O OH HN S N H O O H 3 C H 3 C IC50 = 160.0 nM 426.54 COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc(C(C)C)c3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL3113193 OBDepict H 3 C O OH N H S HN O O S N IC50 = 180.0 nM 467.57 COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL52 OBDepict CH 3 CH 3 HO HO HO OH IC50 = 180.0 nM 302.37 CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Homo sapiens CHEMBL986635 assay format
CHEMBL2018876 OBDepict CH 3 CH 3 OH OH O HO IC50 = 210.0 nM 310.35 CC(C)=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O Homo sapiens CHEMBL4258020 assay format
CHEMBL3113198 OBDepict H 3 C O OH N H S HN O O N S F IC50 = 220.0 nM 459.52 COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccc(F)cc4s3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL3113169 OBDepict H 3 C O OH N H S HN O O N S H 3 C IC50 = 240.0 nM 455.56 COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4c(C)cccc4s3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL463805 OBDepict CH 3 O O O H CH 3 CH 3 H H 3 C H 3 C IC50 = 260.0 nM 342.48 COC1=CC2=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@@]43C)OC2=CC1=O Homo sapiens CHEMBL986635 assay format
CHEMBL3113192 OBDepict CH 3 O S N HN S O O N H OH O H 3 C IC50 = 260.0 nM 471.56 COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1 Homo sapiens CHEMBL3116602 assay format
CHEMBL459185 OBDepict CH 3 O HO O H O CH 3 H CH 3 H 3 C H CH 3 CH 3 IC50 = 280.0 nM 374.52 COc1cc2c(cc1O)O[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1[C@@H]2OC Homo sapiens CHEMBL986635 assay format
CHEMBL3113180 OBDepict CH 3 O OH HN S N H O O IC50 = 330.0 nM 434.52 COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL3113165 OBDepict H 3 C O OH N H S HN O O N S IC50 = 340.0 nM 441.53 COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4s3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL3113165 OBDepict H 3 C O OH N H S HN O O N S Ki = 350.0 nM 441.53 COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4s3)cc2)c1O Homo sapiens CHEMBL3118875 assay format
CHEMBL3113168 OBDepict CH 3 O OH N H S HN O O S IC50 = 350.0 nM 390.49 COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccs3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL92359 OBDepict H CH 3 CH 3 H + N + N OH O _ O HO O _ O OH HO IC50 = 360.0 nM 392.36 C[C@@H](Cc1cc(O)c(O)cc1[N+](=O)[O-])[C@H](C)Cc1cc(O)c(O)cc1[N+](=O)[O-] Homo sapiens CHEMBL615243 assay format
CHEMBL314941 OBDepict H H 3 C H 3 C H Cl Cl OH OH HO OH IC50 = 360.0 nM 371.26 C[C@@H](Cc1cc(O)c(O)cc1Cl)[C@H](C)Cc1cc(O)c(O)cc1Cl Homo sapiens CHEMBL615243 assay format
CHEMBL3113191 OBDepict CH 3 O OH HN S N H O O H 3 C CH 3 H 3 C IC50 = 390.0 nM 440.57 COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc(C(C)(C)C)c3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL89283 OBDepict H H 3 C H 3 C H Br Br OH OH HO OH IC50 = 430.0 nM 460.16 C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br Homo sapiens CHEMBL615243 assay format
CHEMBL50 OBDepict OH OH O O HO HO HO IC50 = 440.0 nM 302.24 O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL924094 single protein format
CHEMBL241814 OBDepict Cl O O OH OH IC50 = 480.0 nM 288.69 O=c1c(-c2ccc(Cl)cc2)coc2c(O)c(O)ccc12 Homo sapiens CHEMBL924094 single protein format
CHEMBL3113176 OBDepict CH 3 O OH HN S N H O O N IC50 = 480.0 nM 435.51 COc1cccc(CNc2ccc(S(=O)(=O)Nc3cnc4ccccc4c3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL3113178 OBDepict CH 3 O OH HN S N H O O IC50 = 500.0 nM 384.46 COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL3113179 OBDepict CH 3 O OH HN S N H O O IC50 = 510.0 nM 434.52 COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL3113166 OBDepict H 3 C O OH N H S HN O O N O Ki = 530.0 nM 425.47 COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4o3)cc2)c1O Homo sapiens CHEMBL3118875 assay format
CHEMBL3113167 OBDepict H 3 C O OH N H S HN O O N N H IC50 = 570.0 nM 424.48 COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4[nH]3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL323197 OBDepict CH 3 O OH O O CH 3 H 3 C OH HO H 3 C CH 3 IC50 = 580.0 nM 410.47 COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C Homo sapiens CHEMBL898687 single protein format
CHEMBL238844 OBDepict OH OH O O F F F IC50 = 620.0 nM 322.24 O=c1c(-c2cccc(C(F)(F)F)c2)coc2c(O)c(O)ccc12 Homo sapiens CHEMBL924094 single protein format
CHEMBL3113177 OBDepict CH 3 O OH HN S N H O O N IC50 = 700.0 nM 435.51 COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc4ccncc34)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL3113195 OBDepict CH 3 O OH HN S N H O O N O O H 3 C CH 3 H 3 C IC50 = 760.0 nM 567.71 COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL241815 OBDepict Cl O O OH OH IC50 = 780.0 nM 288.69 O=c1c(-c2cccc(Cl)c2)coc2c(O)c(O)ccc12 Homo sapiens CHEMBL924094 single protein format
CHEMBL463806 OBDepict CH 3 O OH O CH 3 CH 3 H H 3 C H 3 C IC50 = 780.0 nM 342.48 COc1cc2c(cc1O)O[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)C1=C2 Homo sapiens CHEMBL986635 assay format
CHEMBL3113166 OBDepict H 3 C O OH N H S HN O O N O IC50 = 790.0 nM 425.47 COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4o3)cc2)c1O Homo sapiens CHEMBL3116602 assay format
CHEMBL1369893 OBDepict CH 3 HN O S OH + N N O _ O IC50 = 800.0 nM 357.39 CCC(=O)NC(c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1O Homo sapiens CHEMBL1817023 assay format
CHEMBL8260 OBDepict OH OH O OH O IC50 = 860.0 nM 270.24 O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 Homo sapiens CHEMBL924094 single protein format
CHEMBL31574 OBDepict OH O O HO HO HO IC50 = 950.0 nM 286.24 O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12 Homo sapiens CHEMBL924094 single protein format
CHEMBL580727 OBDepict CH 3 HN O O OH Cl N IC50 = 1000.0 nM 330.77 CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O Homo sapiens CHEMBL1817023 assay format
CHEMBL528045 OBDepict CH 3 NH O S OH Cl N IC50 = 1000.0 nM 332.81 CC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O Homo sapiens CHEMBL1817023 assay format
CHEMBL1405150 OBDepict CH 3 HN O S OH Cl N IC50 = 1000.0 nM 346.84 CCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O Homo sapiens CHEMBL1817023 assay format
CHEMBL418941 OBDepict CH 3 O O OH IC50 = 1000.0 nM 318.46 CCCCCC(=O)/C=C/C=CC/C=CC/C=CCCCC(=O)O Homo sapiens CHEMBL3371451 assay format
CHEMBL1573436 OBDepict CH 3 NH O S OH Br N IC50 = 1000.0 nM 377.26 CC(=O)NC(c1cccs1)c1cc(Br)c2cccnc2c1O Homo sapiens CHEMBL1817023 assay format