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Q03181 | PPARD_HUMAN | Peroxisome proliferator-activated receptor delta (PPARD)

3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep_1 ]

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[ Domain: "LIM domain-like" // zf-C4 ]

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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
CHEMBL413686 OBDepict I N H N N Cl N N H S H HO H OH Ki = 0.00483 nM 503.75 O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O Homo sapiens CHEMBL4018946 single protein format
CHEMBL387921 OBDepict Cl N H N N Cl N N H S H HO H OH Ki = 0.0102 nM 412.3 O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@@H]1O Homo sapiens CHEMBL4018946 single protein format
CHEMBL38943 OBDepict OH O O CH 3 S S CH 3 N F F F Ki = 0.048 nM 453.51 Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O Homo sapiens CHEMBL4018946 single protein format
CHEMBL200732 OBDepict H 3 C NH O H S H OH H N H HO N N Cl N N H I Ki = 0.16 nM 560.81 CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4018946 single protein format
CHEMBL435523 OBDepict CH 3 O O N O O OH Ki = 0.3 nM 459.54 CCCc1c(OCCCCOc2cccc(CC(=O)O)c2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL759301 single protein format
CHEMBL431733 OBDepict H 3 C NH O H O H OH H N H HO N N Cl N N H I Ki = 0.43 nM 544.74 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4018946 single protein format
CHEMBL499312 OBDepict HO O S O O F F F O OH Ki = 0.6 nM 586.63 O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#CCCO)c2c1CCCC2 Homo sapiens CHEMBL1004951 single protein format
CHEMBL227279 OBDepict Cl N N N H N N H S H OH Cl H HO Ki = 0.62 nM 412.3 O[C@@H]1CS[C@@H](n2cnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@@H]1O Homo sapiens CHEMBL4018946 single protein format
CHEMBL38943 OBDepict OH O O CH 3 S S CH 3 N F F F IC50 = 1.0 nM 453.51 Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O Homo sapiens CHEMBL759401 single protein format
CHEMBL38508 OBDepict OH O O CH 3 S S CH 3 N F F F F IC50 = 1.0 nM 471.5 Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O Homo sapiens CHEMBL759401 single protein format
CHEMBL234659 OBDepict CH 3 O S O H 3 C O OH O F F F IC50 = 1.7 nM 492.52 COc1cc(OCC(=O)O)c(C)cc1SCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL896362 single protein format
CHEMBL232400 OBDepict HO O O S O F F F F IC50 = 1.7 nM 506.52 O=C(O)COc1ccc(SCc2cc(F)ccc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2 Homo sapiens CHEMBL896362 single protein format
CHEMBL241299 OBDepict OH O CH 3 O O CH 3 H N Cl IC50 = 2.0 nM 439.94 Cc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2-c2ccccn2)ccc1CCC(=O)O Homo sapiens CHEMBL885567 single protein format
CHEMBL435704 OBDepict H 3 C O O N O O HO Ki = 2.0 nM 459.54 CCCc1c(OCCCOc2ccc(CCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL759301 single protein format
CHEMBL525989 OBDepict OH O S O O F F F O OH Ki = 2.0 nM 572.6 O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#CCO)c2c1CCCC2 Homo sapiens CHEMBL1004951 single protein format
CHEMBL603424 OBDepict I N H N N N N H S H OH H H HO N H O Ki = 2.37 nM 566.42 O=C(NCC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4018946 single protein format
CHEMBL522152 OBDepict H 3 C NH O H S H OH H N H HO N N N N H I Ki = 2.54 nM 526.36 CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4018946 single protein format
CHEMBL594625 OBDepict I N H N N N N H S H HO H H OH N H O Ki = 2.61 nM 566.42 O=C(NC1CCC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4018946 single protein format
CHEMBL231690 OBDepict HO O N S S CH 3 N F F F IC50 = 2.8 nM 386.42 Cc1nc(C(F)(F)F)sc1CSc1ccc2c(ccn2CC(=O)O)c1 Homo sapiens CHEMBL896466 single protein format
CHEMBL596014 OBDepict I N H N N N N H S H OH H H HO N H O Ki = 2.98 nM 552.4 O=C(NC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4018946 single protein format
CHEMBL236877 OBDepict CH 3 O O CH 3 CH 3 O OH N H O Br F F F IC50 = 3.0 nM 566.37 Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Br)c2)ccc1OC(C)(C)C(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL236664 OBDepict CH 3 O O CH 3 CH 3 O OH N H O CH 3 F F F IC50 = 3.0 nM 501.5 Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C)c2)ccc1OC(C)(C)C(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL241286 OBDepict H 3 C O N S H 3 C H O CH 3 O OH IC50 = 3.0 nM 439.58 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2cscn2)c1 Homo sapiens CHEMBL885567 single protein format
CHEMBL212911 OBDepict CH 3 O O H 3 C H O CH 3 O OH IC50 = 3.0 nM 460.57 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1 Homo sapiens CHEMBL911540 single protein format
CHEMBL238152 OBDepict HO O H 3 C O NH O N H 3 C CH 3 Cl IC50 = 3.0 nM 490.99 Cc1cc(Oc2cccc(CNC(=O)c3c(C)c4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL235143 OBDepict OH O CH 3 O HN O N H CH 3 Cl IC50 = 3.0 nM 476.96 Cc1cc(Oc2cccc(CNC(=O)c3[nH]c4ccc(Cl)cc4c3C)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL399417 OBDepict OH O CH 3 O HN O N CH 3 Cl IC50 = 3.0 nM 476.96 Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL241479 OBDepict CH 3 O O OH O CH 3 H N CH 3 IC50 = 3.0 nM 447.58 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(CC)c2)c(-c2ccccn2)c1 Homo sapiens CHEMBL885567 single protein format
CHEMBL237484 OBDepict HO O H 3 C O NH O N H Cl IC50 = 3.0 nM 462.93 Cc1cc(Oc2cccc(CNC(=O)c3cc4ccc(Cl)cc4[nH]3)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL237277 OBDepict OH O CH 3 O HN O N H Cl IC50 = 3.0 nM 462.93 Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL237520 OBDepict OH O O CH 3 H 3 C CH 3 O F N H O F F F F IC50 = 3.0 nM 523.45 Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL392717 OBDepict F O HN O CH 3 F O CH 3 CH 3 O OH F F F IC50 = 3.0 nM 523.45 Cc1cc(Oc2cc(F)cc(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL237307 OBDepict OH O O H 3 C CH 3 H 3 C O CH 3 N H O F F F F IC50 = 3.0 nM 519.49 Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2F)cc1Oc1ccc(OC(C)(C)C(=O)O)c(C)c1 Homo sapiens CHEMBL902598 single protein format
CHEMBL238970 OBDepict CH 3 O O HO O H 3 C H N F F F IC50 = 3.0 nM 487.52 CCc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2-c2ccccn2)ccc1CCC(=O)O Homo sapiens CHEMBL885567 single protein format
CHEMBL393938 OBDepict CH 3 O O CH 3 CH 3 O OH N H O Cl F F F IC50 = 3.0 nM 521.92 Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Cl)c2)ccc1OC(C)(C)C(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL241471 OBDepict CH 3 O N CH 3 H O H 3 C O OH IC50 = 3.0 nM 433.55 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccccn2)c1 Homo sapiens CHEMBL885567 single protein format
CHEMBL289887 OBDepict OH O O CH 3 S O CH 3 N F F F IC50 = 3.0 nM 437.44 Cc1cc(SCc2oc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O Homo sapiens CHEMBL759401 single protein format
CHEMBL233976 OBDepict OH O S O S CH 3 N F F F IC50 = 3.1 nM 463.5 Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(CC(=O)O)csc2c1 Homo sapiens CHEMBL896466 single protein format
CHEMBL596042 OBDepict CH 3 N H O H S H OH H N H HO N N N N H I Ki = 3.15 nM 540.39 CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4018946 single protein format
CHEMBL234589 OBDepict OH O S O O F F F IC50 = 3.6 nM 472.48 O=C(O)Cc1csc2cc(OCc3ccc(COc4ccc(C(F)(F)F)cc4)cc3)ccc12 Homo sapiens CHEMBL896466 single protein format
CHEMBL367019 OBDepict H 3 C O O N S Cl O OH Ki = 3.7 nM 496.03 CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL759301 single protein format
CHEMBL173494 OBDepict H 3 C O O N O O O HO Ki = 3.7 nM 461.51 CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL759301 single protein format
CHEMBL524063 OBDepict CH O S O H 3 C H 3 C O F F F O OH Ki = 4.0 nM 516.54 C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c(C)c1C Homo sapiens CHEMBL1004951 single protein format
CHEMBL215701 OBDepict CH 3 O O OH O CH 3 H O Cl IC50 = 4.0 nM 468.98 CCc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(=O)O Homo sapiens CHEMBL911540 single protein format
CHEMBL214026 OBDepict HO O CH 3 O O H 3 C H O Cl IC50 = 4.0 nM 454.95 Cc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(=O)O Homo sapiens CHEMBL911540 single protein format
CHEMBL377660 OBDepict CH 3 O O CH 3 H O H 3 C O OH IC50 = 4.0 nM 448.56 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(Oc2ccccc2)c1 Homo sapiens CHEMBL911540 single protein format
CHEMBL241478 OBDepict HO O CH 3 O O H 3 C H N F F F IC50 = 4.0 nM 473.49 Cc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2-c2ccccn2)ccc1CCC(=O)O Homo sapiens CHEMBL885567 single protein format
CHEMBL215245 OBDepict OH O F O O CH 3 H O Cl IC50 = 4.0 nM 458.91 C[C@H](CCOc1ccc(CCC(=O)O)c(F)c1)Oc1ccc(Cl)cc1Oc1ccccc1 Homo sapiens CHEMBL911540 single protein format
CHEMBL236876 OBDepict CH 3 O O CH 3 CH 3 O OH N H O F F F F IC50 = 4.0 nM 505.46 Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL236875 OBDepict CH 3 N H O F F F O CH 3 O CH 3 H 3 C O OH IC50 = 4.0 nM 515.53 CCc1cc(C(F)(F)F)ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)c1 Homo sapiens CHEMBL902598 single protein format
CHEMBL210768 OBDepict CH 3 O O N F F F O Cl O OH IC50 = 4.0 nM 471.86 CCCc1c(OCCCOc2ccc(CC(=O)O)cc2Cl)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL870176 single protein format
CHEMBL237085 OBDepict CH 3 O N H O F F F O CH 3 O CH 3 H 3 C O OH IC50 = 4.0 nM 517.5 COc1cc(C(F)(F)F)ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)c1 Homo sapiens CHEMBL902598 single protein format
CHEMBL393939 OBDepict CH 3 CH 3 NH O O H 3 C O CH 3 CH 3 O OH IC50 = 4.0 nM 447.53 Cc1ccc(C(=O)NCc2cccc(Oc3ccc(OC(C)(C)C(=O)O)c(C)c3)c2)c(C)c1 Homo sapiens CHEMBL902598 single protein format
CHEMBL279053 OBDepict CH 3 O O N CH 3 S Cl O OH IC50 = 4.0 nM 447.98 CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(CC)noc12 Homo sapiens CHEMBL759406 single protein format
CHEMBL237485 OBDepict OH O CH 3 O HN O N H Br IC50 = 4.0 nM 507.38 Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Br)ccc4[nH]3)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL172490 OBDepict H 3 C O O N O O CH 3 O HO Ki = 4.6 nM 475.54 CCCc1c(OCCCOc2ccc(OC(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL759301 single protein format
CHEMBL592652 OBDepict H 3 C O O S S N H O O O CH 3 N H Ki = 4.65 nM 418.5 COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC Homo sapiens CHEMBL4706441 single protein format
CHEMBL173285 OBDepict H 3 C O O N O O OH Ki = 5.0 nM 445.52 CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL759301 single protein format
CHEMBL501440 OBDepict H 3 C O S O O F F F O HO Ki = 5.0 nM 570.63 CCC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2 Homo sapiens CHEMBL1004951 single protein format
CHEMBL214921 OBDepict OH O CH 3 O O CH 3 H O O F F F IC50 = 5.0 nM 504.5 Cc1cc(OCC[C@@H](C)Oc2ccc(OC(F)(F)F)cc2Oc2ccccc2)ccc1CCC(=O)O Homo sapiens CHEMBL911540 single protein format
CHEMBL213315 OBDepict OH O CH 3 O O CH 3 H O F F F IC50 = 5.0 nM 488.5 Cc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2Oc2ccccc2)ccc1CCC(=O)O Homo sapiens CHEMBL911540 single protein format
CHEMBL213361 OBDepict OH O F F F O O H 3 C H O Cl IC50 = 5.0 nM 508.92 C[C@H](CCOc1ccc(CCC(=O)O)c(C(F)(F)F)c1)Oc1ccc(Cl)cc1Oc1ccccc1 Homo sapiens CHEMBL911540 single protein format
CHEMBL401236 OBDepict CH 3 O O HO F N H H 3 C H O S H 3 C Cl IC50 = 5.0 nM 540.06 CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3sc4ccc(Cl)cc4c3C)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL238357 OBDepict CH 3 O O OH F N H H 3 C H O N H 3 C CH 3 Cl IC50 = 5.0 nM 537.03 CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3c(C)c4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL399217 OBDepict HO O H 3 C O NH O N H Cl Cl IC50 = 5.0 nM 497.38 Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)c(Cl)cc4[nH]3)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL237730 OBDepict HO O CH 3 O N H O H 3 C F F F IC50 = 5.0 nM 471.48 Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL215582 OBDepict CH 3 O O CH 3 O O H 3 C H 3 C O HO IC50 = 5.0 nM 476.57 CCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C(=O)O)cc2)c(C(=O)c2ccccc2)c1 Homo sapiens CHEMBL911540 single protein format
CHEMBL391470 OBDepict H 3 C O N O H 3 C H O CH 3 O OH IC50 = 5.0 nM 423.51 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ncco2)c1 Homo sapiens CHEMBL885567 single protein format
CHEMBL237518 OBDepict CH 3 O N H O CH 3 F O H 3 C CH 3 O HO F F F IC50 = 5.0 nM 519.49 Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2F)cc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)c1 Homo sapiens CHEMBL902598 single protein format
CHEMBL393926 OBDepict CH 3 O CH 3 H O H 3 C O OH IC50 = 5.0 nM 432.56 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccccc2)c1 Homo sapiens CHEMBL885567 single protein format
CHEMBL391283 OBDepict CH 3 O CH 3 H N O H 3 C O OH IC50 = 5.0 nM 433.55 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccncc2)c1 Homo sapiens CHEMBL885567 single protein format
CHEMBL241472 OBDepict CH 3 O N CH 3 H O H 3 C O OH IC50 = 5.0 nM 433.55 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2cccnc2)c1 Homo sapiens CHEMBL885567 single protein format
CHEMBL502521 OBDepict OH O O S O O HO H 3 C H F F F Ki = 6.0 nM 586.63 C[C@H](O)C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2 Homo sapiens CHEMBL1004951 single protein format
CHEMBL501439 OBDepict H 3 C O S O O F F F O HO Ki = 6.0 nM 556.6 CC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2 Homo sapiens CHEMBL1004951 single protein format
CHEMBL237086 OBDepict Cl CH 3 HN O O CH 3 O H 3 C H 3 C O OH IC50 = 6.0 nM 467.95 Cc1cc(Oc2cccc(CNC(=O)c3ccc(Cl)cc3C)c2)ccc1OC(C)(C)C(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL278994 OBDepict H 3 C O O S Cl O OH IC50 = 6.0 nM 495.04 CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(-c3ccccc3)coc12 Homo sapiens CHEMBL759406 single protein format
CHEMBL215127 OBDepict CH 3 O O O CH 3 CH 3 O OH IC50 = 6.0 nM 474.6 CCc1ccc(OC(CC)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1 Homo sapiens CHEMBL911540 single protein format
CHEMBL213314 OBDepict CH 3 O O O O CH 3 CH 3 O OH IC50 = 6.0 nM 462.54 CCc1ccc(OCCCOc2ccc(OC(C)(C)C(=O)O)cc2)c(C(=O)c2ccccc2)c1 Homo sapiens CHEMBL911540 single protein format
CHEMBL392058 OBDepict O N H F F F O CH 3 O CH 3 H 3 C O OH IC50 = 6.0 nM 487.47 Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1OC(C)(C)C(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL237519 OBDepict OH O O CH 3 H 3 C CH 3 O CH 3 N H O F F F F IC50 = 6.0 nM 519.49 Cc1ccc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F Homo sapiens CHEMBL902598 single protein format
CHEMBL234801 OBDepict HO O N O S CH 3 N F F F IC50 = 6.8 nM 370.35 Cc1nc(C(F)(F)F)sc1COc1ccc2c(ccn2CC(=O)O)c1 Homo sapiens CHEMBL896466 single protein format
CHEMBL496807 OBDepict OH O O S Cl O F F F Ki = 7.0 nM 522.97 O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2Cl)c2c1CCCC2 Homo sapiens CHEMBL1004951 single protein format
CHEMBL495990 OBDepict HC O S O O F F F O HO Ki = 7.0 nM 542.58 C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2 Homo sapiens CHEMBL1004951 single protein format
CHEMBL378068 OBDepict CH 3 O O CH 3 O CH 3 O OH IC50 = 7.0 nM 460.57 CCc1ccc(OC(C)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1 Homo sapiens CHEMBL911540 single protein format
CHEMBL233978 OBDepict OH O S O N O Cl IC50 = 7.7 nM 399.86 O=C(O)Cc1csc2cc(OCc3cc(-c4ccc(Cl)cc4)on3)ccc12 Homo sapiens CHEMBL896466 single protein format
CHEMBL495817 OBDepict H 3 C O O S O CH 3 CH 3 O F F F O HO Ki = 8.0 nM 550.6 COCCCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c(C)c1C Homo sapiens CHEMBL1004951 single protein format
CHEMBL212591 OBDepict CH 3 O CH 3 O H 3 C O OH IC50 = 8.0 nM 446.59 CCc1ccc(OC(C)CCOc2ccc(CCC(=O)O)c(C)c2)c(Cc2ccccc2)c1 Homo sapiens CHEMBL911540 single protein format
CHEMBL210973 OBDepict CH 3 O O N F F F O O OH IC50 = 8.0 nM 437.41 CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL870176 single protein format
CHEMBL392063 OBDepict CH 3 O S H 3 C H O H 3 C O OH IC50 = 8.0 nM 438.59 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccsc2)c1 Homo sapiens CHEMBL885567 single protein format
CHEMBL503072 OBDepict CH 3 O O S O O F F F O OH Ki = 9.0 nM 586.63 COCC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2 Homo sapiens CHEMBL1004951 single protein format
CHEMBL212023 OBDepict CH 3 O O O H 3 C CH 3 O OH IC50 = 9.0 nM 488.62 CCCC(CCOc1ccc(CCC(=O)O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1 Homo sapiens CHEMBL911540 single protein format
CHEMBL241078 OBDepict H 3 C O S H 3 C H O CH 3 O OH IC50 = 9.0 nM 438.59 CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2cccs2)c1 Homo sapiens CHEMBL885567 single protein format
CHEMBL236218 OBDepict OH O CH 3 O HN O N H Br IC50 = 9.0 nM 507.38 Cc1cc(Oc2cccc(CNC(=O)c3cc4cccc(Br)c4[nH]3)c2)ccc1CCC(=O)O Homo sapiens CHEMBL902598 single protein format
CHEMBL23296 OBDepict CH 3 O O N F F F S Cl O OH IC50 = 10.0 nM 487.93 CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL759406 single protein format
CHEMBL232397 OBDepict OH O O S O F F F IC50 = 10.0 nM 488.53 O=C(O)COc1ccc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 Homo sapiens CHEMBL896362 single protein format
CHEMBL23874 OBDepict CH 3 O OH N HO H 3 C S Cl O OH IC50 = 10.0 nM 466.0 CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(/C(CC)=N/O)c1O Homo sapiens CHEMBL759406 single protein format
CHEMBL234665 OBDepict HO O O S O F F F IC50 = 10.4 nM 488.53 O=C(O)COc1ccc(SCc2ccccc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2 Homo sapiens CHEMBL896362 single protein format
CHEMBL495818 OBDepict H 3 C O O S O CH 3 CH 3 O F F F O HO Ki = 11.0 nM 536.57 COCCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c(C)c1C Homo sapiens CHEMBL1004951 single protein format
CHEMBL501982 OBDepict H 3 C O S O N O F F F O HO Ki = 11.0 nM 571.62 CCC#CCOc1cc(COc2ccc(C(F)(F)F)cn2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2 Homo sapiens CHEMBL1004951 single protein format
CHEMBL427299 OBDepict CH 3 O O N O O HO Ki = 11.0 nM 445.52 CCCc1c(OCCOc2ccc(CCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL759301 single protein format