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P05091 | ALDH2_HUMAN | "Aldehyde dehydrogenase, mitochondrial" (ALDH2)

3D structures mapped by conservation among orthologs

[ Domain: "ALDH-like" // Aldedh_2nd ]

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[ Domain: "ALDH-like" // Aldedh_1st_1 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL3660752 OBDepict O N O H 3 C CH 3 H 3 C CH 3 N O O O HN S O O H 3 C IC50 = 2.3 nM 591.69 CN(C(=O)OC(C)(C)C)C1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL113123 OBDepict OH O O O O HO IC50 = 3.0 nM 438.52 O=C(O)CCCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641008 single protein format
CHEMBL3660748 OBDepict O N O O NH S O O CH 3 IC50 = 4.0 nM 476.55 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CCC5)C4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL112696 OBDepict OH O O O O HO IC50 = 4.0 nM 424.49 O=C(O)CCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641008 single protein format
CHEMBL3935026 OBDepict H 3 C N N O O N H S O O H IC50 < 4.9 nM 419.46 Cn1cncc1C#Cc1ccc2c(=O)c(-c3ccc(CN[SH](=O)=O)cc3)coc2c1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660751 OBDepict O HN O H 3 C H 3 C CH 3 N O O O HN S O O H 3 C IC50 = 5.0 nM 577.66 CC(C)(C)OC(=O)NC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660728 OBDepict O N O O NH S O O CH 3 IC50 = 5.0 nM 462.53 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CC5)C4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660747 OBDepict O N F F O O NH S O O CH 3 IC50 = 5.0 nM 498.51 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CC5(F)F)C4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660742 OBDepict O N H 3 C OH O O NH S O O H 3 C IC50 = 5.0 nM 506.58 CC1(O)CC(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)C1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660739 OBDepict O N F F O O NH S O O CH 3 IC50 = 6.0 nM 512.53 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CC(F)(F)C5)C4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660744 OBDepict O N CH 3 O O O NH S O O H 3 C IC50 = 6.0 nM 492.55 CC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)COC1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660750 OBDepict O N H O H 3 C H 3 C CH 3 N O O O NH S O O H 3 C IC50 = 6.0 nM 591.69 CC(C)(C)OC(=O)NC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CCC1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660749 OBDepict O N H 3 C O O HN S O O H 3 C IC50 = 6.0 nM 476.55 CC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660730 OBDepict O N O O NH S O O CH 3 IC50 = 6.5 nM 490.58 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CCN(C(=O)C5CC5)CC4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660732 OBDepict O O NH S O O H 3 C N N H 3 C CH 3 IC50 = 7.0 nM 447.52 CC(C)n1cncc1C#Cc1ccc2c(=O)c(-c3ccc(NS(C)(=O)=O)cc3)coc2c1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660738 OBDepict CH 3 O N O O O HN S O O H 3 C IC50 = 8.0 nM 480.54 COCCC(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660735 OBDepict O N O O O NH S O O CH 3 IC50 = 9.0 nM 506.58 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)OC5CCCC5)C4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660726 OBDepict O N O CH 3 CH 3 CH 3 O O HN S O O H 3 C IC50 = 9.0 nM 494.57 CC(C)(C)OC(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660727 OBDepict O N H O O HN S O O CH 3 IC50 = 9.0 nM 432.46 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4cc[nH]c(=O)c4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL113640 OBDepict OH O O O O HO IC50 = 9.0 nM 368.39 O=C(O)CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641008 single protein format
CHEMBL112007 OBDepict OH O O O O HO IC50 = 9.0 nM 382.41 O=C(O)CCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641008 single protein format
CHEMBL3660741 OBDepict HO N O O O NH S O O CH 3 IC50 = 15.0 nM 452.49 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)CO)C4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660745 OBDepict O N HO CH 3 O O HN S O O H 3 C IC50 = 15.0 nM 466.52 CC(O)C(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660731 OBDepict CH 3 N H 3 C N O O NH S O O H 3 C IC50 = 15.0 nM 433.49 Cc1ncc(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)n1C Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660743 OBDepict O N HO CH 3 CH 3 O O NH S O O H 3 C IC50 = 16.0 nM 480.54 CC(C)(O)C(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL4099822 OBDepict CH 3 O O CH 3 O H 3 C H 3 C Ki = 19.0 nM 270.33 CCCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O Homo sapiens CHEMBL4009354 assay format
CHEMBL3660722 OBDepict O O NH S O O CH 3 N IC50 = 21.0 nM 416.46 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4cccnc4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3667538 OBDepict O N H CH 3 Cl N O H IC50 = 23.0 nM 352.82 Cc1cccc(Cl)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1 Homo sapiens CHEMBL3706196 single protein format
CHEMBL3667547 OBDepict O N H Cl Cl F O N H IC50 = 25.0 nM 391.23 O=C(NCc1ccc(-c2cc(=O)[nH]cc2F)cc1)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3706196 single protein format
CHEMBL4072941 OBDepict CH 3 O O CH 3 O H 3 C H 3 C Ki = 35.0 nM 242.27 Cc1oc2cc3oc(=O)c(C)c(C)c3cc2c1C Homo sapiens CHEMBL4009357 assay format
CHEMBL3660746 OBDepict CH 3 N N O O O N H S O O CH 3 IC50 = 35.0 nM 519.62 CN1CCC(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL115092 OBDepict CH 3 O O O HO IC50 = 40.0 nM 282.3 CCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641008 single protein format
CHEMBL114083 OBDepict OH O O O O O OH IC50 = 40.0 nM 386.4 O=c1c(-c2ccc(O)cc2)coc2cc(OCCOCCOCCO)ccc12 Homo sapiens CHEMBL641141 assay format
CHEMBL114397 OBDepict OH O O O O HO IC50 = 40.0 nM 396.44 O=C(O)CCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL486422 OBDepict HO H O H HO H O H OH H OH O O OH IC50 = 40.0 nM 416.38 O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 Homo sapiens CHEMBL641008 single protein format
CHEMBL3660736 OBDepict O O NH S O O CH 3 O IC50 = 43.0 nM 423.49 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CCOCC4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660716 OBDepict H 3 C O O O HN S O O H 3 C IC50 = 47.0 nM 383.43 COCC#Cc1ccc2c(=O)c(-c3ccc(NS(C)(=O)=O)cc3)coc2c1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3128207 OBDepict Br N O O IC50 = 50.0 nM 330.18 O=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 Homo sapiens CHEMBL3130565 single protein format
CHEMBL3660721 OBDepict O O NH S O O CH 3 N N IC50 = 57.0 nM 417.45 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4cncnc4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660712 OBDepict O O NH S O O CH 3 IC50 = 57.7 nM 379.44 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CC4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3667535 OBDepict CH 3 O O Cl Cl N H O N O H IC50 = 63.0 nM 447.32 COCCOc1cc(Cl)c(C(=O)NCc2ccc(-c3cc[nH]c(=O)c3)cc2)c(Cl)c1 Homo sapiens CHEMBL3706196 single protein format
CHEMBL3660740 OBDepict CH 3 N H 3 C N O O O HN S O O H 3 C IC50 = 64.0 nM 493.59 CN(C)CCC(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL4090473 OBDepict O O O CH 3 CH 3 IC50 = 67.0 nM 268.31 Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCCC4 Homo sapiens CHEMBL4009334 assay format
CHEMBL1349972 OBDepict CH 3 O CH 3 O O IC50 = 67.0 nM 254.28 Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCC4 Homo sapiens CHEMBL4009334 assay format
CHEMBL113113 OBDepict OH O O O OH IC50 = 70.0 nM 298.29 O=c1c(-c2ccc(O)cc2)coc2cc(OCCO)ccc12 Homo sapiens CHEMBL641141 assay format
CHEMBL115109 OBDepict CH 3 O CH 3 O O HO IC50 = 80.0 nM 296.32 CC(C)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL3660725 OBDepict O N O CH 3 CH 3 CH 3 O O HN S O O H 3 C IC50 = 86.0 nM 522.62 CC(C)(C)OC(=O)N1CCC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)CC1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660719 OBDepict O O NH S O O CH 3 N IC50 = 90.0 nM 416.46 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4ccccn4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660733 OBDepict CH 3 N N O O HN S O O H 3 C IC50 = 95.0 nM 419.46 Cn1cnc(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)c1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3660723 OBDepict H 3 C O O O NH S O O IC50 = 96.0 nM 409.46 COCC#Cc1ccc2c(=O)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)coc2c1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL113586 OBDepict OH O O O O HO IC50 = 100.0 nM 354.36 O=C(O)CCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL109641 OBDepict NH 2 O O O HO IC50 = 100.0 nM 353.42 NCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL3128203 OBDepict Cl N O O IC50 = 100.0 nM 297.74 O=C1C(=O)N(C/C=C/c2ccccc2)c2ccc(Cl)cc21 Homo sapiens CHEMBL3130565 single protein format
CHEMBL3667536 OBDepict O N H Cl Cl N O H IC50 = 102.0 nM 373.24 O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3706196 single protein format
CHEMBL3915386 OBDepict CH 3 CH 3 N O O HN S O O H IC50 = 109.0 nM 450.56 CC(C)CN1CC(C#Cc2ccc3c(=O)c(-c4ccc(CN[SH](=O)=O)cc4)coc3c2)C1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL4099822 OBDepict CH 3 O O CH 3 O H 3 C H 3 C IC50 = 110.0 nM 270.33 CCCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O Homo sapiens CHEMBL4009334 assay format
CHEMBL113058 OBDepict OH O O O HO IC50 = 120.0 nM 354.4 O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCO)ccc12 Homo sapiens CHEMBL641141 assay format
CHEMBL326803 OBDepict CH 3 O O O O O HO IC50 = 130.0 nM 340.33 CCOC(=O)COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL262662 OBDepict OH O O O O HO IC50 = 130.0 nM 452.55 O=C(O)CCCCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL4081886 OBDepict CH 3 O O H 3 C O CH 3 H 3 C IC50 = 150.0 nM 242.27 Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O Homo sapiens CHEMBL4009334 assay format
CHEMBL109649 OBDepict CH 2 O O O HO IC50 = 150.0 nM 336.39 C=CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL4078971 OBDepict CH 3 O CH 3 O O IC50 = 150.0 nM 264.28 Cc1oc2cc3oc(=O)c4ccccc4c3cc2c1C Homo sapiens CHEMBL4009334 assay format
CHEMBL111984 OBDepict Cl O CH 3 O IC50 = 150.0 nM 276.76 CC1=C(c2ccccc2)C(=O)OC2CC(Cl)CCC12 Homo sapiens CHEMBL641141 assay format
CHEMBL3660724 OBDepict O O NH S O O CH 3 OH IC50 = 156.0 nM 423.49 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4(O)CCCC4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL3667539 OBDepict O N H CH 3 CH 3 N O H IC50 = 166.0 nM 332.4 Cc1cccc(C)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1 Homo sapiens CHEMBL3706196 single protein format
CHEMBL3660729 OBDepict O O NH S O O CH 3 HN IC50 = 174.0 nM 422.51 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CCNCC4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL4072941 OBDepict CH 3 O O CH 3 O H 3 C H 3 C IC50 = 190.0 nM 242.27 Cc1oc2cc3oc(=O)c(C)c(C)c3cc2c1C Homo sapiens CHEMBL4009334 assay format
CHEMBL3667537 OBDepict O N H Cl F N O H IC50 = 215.0 nM 356.78 O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1cccc(F)c1Cl Homo sapiens CHEMBL3706196 single protein format
CHEMBL3276621 OBDepict Cl Cl HN O N H O Cl Cl IC50 = 229.33 nM 366.12 O=C(NCCCCCCCCNC(=O)C(Cl)Cl)C(Cl)Cl Homo sapiens CHEMBL4265385 single protein format
CHEMBL112865 OBDepict CH 3 O O O O O HO IC50 = 240.0 nM 382.41 CCOC(=O)CCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL109868 OBDepict NH 2 O O O HO IC50 = 250.0 nM 325.36 NCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL115314 OBDepict Br O O O OH IC50 = 260.0 nM 375.22 O=c1c(-c2ccc(O)cc2)coc2cc(OCCCBr)ccc12 Homo sapiens CHEMBL641008 single protein format
CHEMBL3660734 OBDepict O O NH S O O CH 3 HN IC50 = 266.0 nM 394.45 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CNC4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL113617 OBDepict Br O O O OH IC50 = 270.0 nM 389.25 O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCBr)ccc12 Homo sapiens CHEMBL641008 single protein format
CHEMBL112070 OBDepict CH 3 O O O O O HO IC50 = 280.0 nM 396.44 CCOC(=O)CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL112437 OBDepict Br O O O HO IC50 = 300.0 nM 417.3 O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCBr)ccc12 Homo sapiens CHEMBL641008 single protein format
CHEMBL3667546 OBDepict F N H O N O H Cl Cl IC50 = 304.0 nM 391.23 O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1F)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3706196 single protein format
CHEMBL4061563 OBDepict CH 3 O O O CH 3 O CH 3 O Ki = 310.0 nM 262.26 COC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1 Homo sapiens CHEMBL4009354 assay format
CHEMBL326236 OBDepict H 3 C O O O CH 3 O O HO IC50 = 320.0 nM 354.36 CCOC(=O)C(C)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641141 assay format
CHEMBL120563 OBDepict CH 3 N CH 3 S S S N S CH 3 H 3 C IC50 = 320.0 nM 240.44 CN(C)C(=S)SSC(=S)N(C)C Homo sapiens CHEMBL4821209 single protein format
CHEMBL3660713 OBDepict O O NH S O O CH 3 IC50 = 329.0 nM 415.47 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4ccccc4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL4064364 OBDepict CH 3 O O CH 3 O H 3 C IC50 = 340.0 nM 256.3 CCCc1c(C)c2cc3c(C)coc3cc2oc1=O Homo sapiens CHEMBL4009334 assay format
CHEMBL1562069 OBDepict H 3 C O O O CH 3 CH 3 IC50 = 360.0 nM 256.3 CCCc1cc(=O)oc2cc3oc(C)c(C)c3cc12 Homo sapiens CHEMBL4009334 assay format
CHEMBL3667545 OBDepict O N H F Cl N O H IC50 = 379.0 nM 356.78 O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(F)cccc1Cl Homo sapiens CHEMBL3706196 single protein format
CHEMBL3918259 OBDepict O O HN S OH O O H IC50 = 386.0 nM 423.49 O=c1c(-c2ccc(CN[SH](=O)=O)cc2)coc2cc(C#CC3(O)CCCC3)ccc12 Homo sapiens CHEMBL3705108 single protein format
CHEMBL134275 OBDepict OH O O O O O IC50 = 400.0 nM 368.39 O=c1c(-c2ccc(O)cc2)coc2cc(OCCC3OCCCO3)ccc12 Homo sapiens CHEMBL641008 single protein format
CHEMBL3128206 OBDepict Cl N O O IC50 = 410.0 nM 285.73 O=C1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 Homo sapiens CHEMBL3130565 single protein format
CHEMBL491174 OBDepict CH 3 O OH O O HO Ki = 450.0 nM 284.27 COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL989246 single protein format
CHEMBL3667541 OBDepict O N H F Cl F N O H IC50 = 464.0 nM 374.77 O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(F)ccc(F)c1Cl Homo sapiens CHEMBL3706196 single protein format
CHEMBL4079452 OBDepict O O O CH 3 O IC50 = 470.0 nM 230.22 Cc1cc(=O)oc2cc3c(cc12)CCC(=O)O3 Homo sapiens CHEMBL4009334 assay format
CHEMBL3667542 OBDepict CH 3 NH N O O H Cl Cl IC50 = 480.0 nM 387.27 Cc1cc(CNC(=O)c2c(Cl)cccc2Cl)ccc1-c1cc[nH]c(=O)c1 Homo sapiens CHEMBL3706196 single protein format
CHEMBL3660718 OBDepict O O NH S O O CH 3 H 2 N IC50 = 528.0 nM 436.53 CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4(N)CCCCC4)ccc3c2=O)cc1 Homo sapiens CHEMBL3705108 single protein format
CHEMBL111989 OBDepict OH O O O OH IC50 = 700.0 nM 396.48 O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCCCCO)ccc12 Homo sapiens CHEMBL641141 assay format
CHEMBL4871242 OBDepict CH 3 N N N N O IC50 = 790.0 nM 388.52 Cc1cccc(Cn2c(CN3CCN(C(=O)C4CC4)CC3)nc3ccccc32)c1 Homo sapiens CHEMBL4825200 single protein format
CHEMBL112165 OBDepict CH 2 O O O HO IC50 = 800.0 nM 294.31 C=CCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 Homo sapiens CHEMBL641008 single protein format
CHEMBL4869675 OBDepict H 3 C N S S S O HO N S CH 3 O OH IC50 = 850.0 nM 384.57 CCN(CCC(=O)O)C(=S)SSC(=S)N(CC)CCC(=O)O Homo sapiens CHEMBL4821209 single protein format
CHEMBL3667544 OBDepict O N H F F N O H IC50 = 890.0 nM 340.33 O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(F)cccc1F Homo sapiens CHEMBL3706196 single protein format
CHEMBL4755996 OBDepict NH 2 Se HN N O O Br BrH IC50 = 939.0 nM 532.09 Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)cc1 Homo sapiens CHEMBL4708027 single protein format
CHEMBL3128208 OBDepict CH 3 Br N H O O Ki = 1000.0 nM 240.06 Cc1cc(Br)c2c(c1)C(=O)C(=O)N2 Homo sapiens CHEMBL3128578 single protein format
CHEMBL324628 OBDepict CH 3 O O HO O O HO IC50 = 1000.0 nM 368.39 CCCCC(Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)O Homo sapiens CHEMBL641141 assay format