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P41145 | OPRK_HUMAN | Kappa-type opioid receptor (OPRK1)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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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
CHEMBL1790045 OBDepict CH N H H HO Ki = 0.003 nM 281.4 C#CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 Homo sapiens CHEMBL858981 cell-based format
CHEMBL4109154 OBDepict H 3 C O H H O O H N HO O NH 2 Ki = 0.014 nM 530.67 CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(C(N)=O)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL2338742 OBDepict H 3 C O H H O HO H H N HO Ki = 0.015 nM 493.69 CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL4859512 OBDepict CH 3 O N H H O CH 3 H O H N HO Ki = 0.016 nM 578.75 COc1ccc(CNc2cccc([C@H]3C[C@@]45CC[C@]3(OC)[C@@H]3Oc6c(O)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)c2)cc1 Homo sapiens CHEMBL4841080 cell membrane format
CHEMBL4071862 OBDepict OH N ClH Ki = 0.017 nM 359.94 Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCC2)c1 Homo sapiens CHEMBL4019244 cell-based format
CHEMBL2338716 OBDepict H 3 C O H H O HO H H N HO Ki = 0.019 nM 507.72 CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL2338717 OBDepict H 3 C O H H O HO H H N HO Ki = 0.02 nM 487.64 CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL4108017 OBDepict H 3 C O H H O O H N F Ki = 0.02 nM 489.63 CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL2338718 OBDepict H 3 C O H H O HO H H N HO Ki = 0.025 nM 501.67 CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL571767 OBDepict CH 3 O N H H H N Ki = 0.03 nM 402.58 COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1 Homo sapiens CHEMBL1050690 cell-based format
CHEMBL2338739 OBDepict CH 3 O H H O OH H H N OH H 3 C CH 3 Ki = 0.033 nM 467.65 CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL3808477 OBDepict Cl O N O N Ki = 0.033 nM 408.93 O=C1CC(C(=O)N2CCc3ccccc3C2CN2CCCC2)c2cc(Cl)ccc21 Homo sapiens CHEMBL3813455 cell-based format
CHEMBL49269 OBDepict OH H H N Ki = 0.034 nM 297.44 Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 Homo sapiens CHEMBL754913 assay format
CHEMBL320882 OBDepict O N H 3 C N Cl Cl Ki = 0.04 nM 391.34 CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccccc1 Homo sapiens CHEMBL839594 single protein format
CHEMBL350384 OBDepict CH 3 CH 3 H 3 C N HO HO Ki = 0.04 nM 315.46 CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc31)C2(C)C Homo sapiens CHEMBL1168405 single protein format
CHEMBL3907014 OBDepict H 3 C O CH 3 H O HO H H N HO Ki = 0.04 nM 487.64 CO[C@@]12CC[C@]3(C[C@@]1(C)[C@@H](O)c1ccccc1)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5 Homo sapiens CHEMBL3889194 cell-based format
CHEMBL4113058 OBDepict H 3 C O O H O H N H 3 C H N H Ki = 0.04 nM 500.68 COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCc1ccccc1)C2 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL4101576 OBDepict OH F N ClH Ki = 0.04 nM 391.96 Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1F Homo sapiens CHEMBL4019244 cell-based format
CHEMBL3581741 OBDepict H 3 C O CH 3 H O HO H H N HO CH 3 Ki = 0.04 nM 499.65 CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3583931 cell-based format
CHEMBL3581750 OBDepict H 3 C O CH 3 H O HO H H N HO Ki = 0.04 nM 487.64 CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3583931 cell-based format
CHEMBL2338728 OBDepict H 3 C O H H O HO H H N HO Ki = 0.041 nM 487.64 CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL473362 OBDepict O N H H H O HO H N OH Ki = 0.043 nM 472.59 O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 Homo sapiens CHEMBL1019446 cell-based format
CHEMBL397035 OBDepict O N H O N Ki = 0.046 nM 416.57 O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3 Homo sapiens CHEMBL887389 cell-based format
CHEMBL2338729 OBDepict H 3 C O H H O HO H H N HO Ki = 0.047 nM 501.67 CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL568757 OBDepict H N H N H Ki = 0.047 nM 372.56 c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1 Homo sapiens CHEMBL1050690 cell-based format
CHEMBL500419 OBDepict O O O HO H N ClH Ki = 0.048 nM 498.06 Cl.O=C(COc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3 Homo sapiens CHEMBL1005605 cell-based format
CHEMBL242756 OBDepict NH 2 S N H N H Ki = 0.049 nM 353.54 Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1 Homo sapiens CHEMBL754913 assay format
CHEMBL3759660 OBDepict NH 2 S N H N H Ki = 0.049 nM 353.54 Nc1nc2cc3c(cc2s1)C[C@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1 Homo sapiens CHEMBL3760683 cell-based format
CHEMBL473699 OBDepict H 3 C N N H H 3 C N H H 3 C Ki = 0.05 nM 309.46 Cc1nc2cc3c(cc2[nH]1)[C@@]1(C)CCN(CC2CC2)C(C3)[C@@H]1C Homo sapiens CHEMBL1030606 cell-based format
CHEMBL4112241 OBDepict H 3 C O H H O O H N HO N H O CH 3 Ki = 0.05 nM 544.69 CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(NC(C)=O)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL3581743 OBDepict H 3 C O CH 3 H O HO H H N HO F Ki = 0.05 nM 503.61 CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3583931 cell-based format
CHEMBL3974294 OBDepict H 3 C O CH 3 H O HO H H N HO F Ki = 0.05 nM 503.61 CO[C@@]12C=C[C@]3(C[C@@]1(C)[C@@H](O)c1ccc(F)cc1)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5 Homo sapiens CHEMBL3889194 cell-based format
CHEMBL2338743 OBDepict CH 3 O H H O OH CH 3 H 3 C CH 3 H N OH Ki = 0.051 nM 453.62 CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL2338750 OBDepict H 3 C O H H O HO CH 3 H N HO Ki = 0.051 nM 507.72 CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL242048 OBDepict O N H O N Ki = 0.051 nM 430.59 O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3 Homo sapiens CHEMBL887389 cell-based format
CHEMBL38576 OBDepict O N H 3 C H N Cl Cl Ki = 0.054 nM 391.34 CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1 Homo sapiens CHEMBL751205 single protein format
CHEMBL2338720 OBDepict CH 3 O H H O OH H H N H 3 C H 3 C OH Ki = 0.057 nM 453.62 CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL86324 OBDepict H N CH 3 N O F F F Ki = 0.058 nM 390.45 CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1ccccc1 Homo sapiens CHEMBL751205 single protein format
CHEMBL2338738 OBDepict CH 3 O H H O OH H H N H 3 C H 3 C OH Ki = 0.059 nM 453.62 CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL58646 OBDepict NH 2 O CH 3 H CH 3 N Ki = 0.06 nM 298.43 C[C@H]1C2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1 Homo sapiens CHEMBL870417 cell-based format
CHEMBL3691854 OBDepict CH 3 O H H O HN H N O OH NH 2 H Ki = 0.06 nM 543.71 CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3705986 cell-based format
CHEMBL3691858 OBDepict CH 3 O H H O HN H N O OH NH 2 H CH 3 CH 3 Ki = 0.06 nM 509.69 CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3705986 cell-based format
CHEMBL2338745 OBDepict CH 3 O H H O OH CH 3 H N OH H 3 C CH 3 Ki = 0.06 nM 481.68 CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL410122 OBDepict OH N H O H H O OH H N OH Ki = 0.06 nM 462.55 O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(O)c1 Homo sapiens CHEMBL950283 cell-based format
CHEMBL297428 OBDepict CH 3 N H 3 C O NH 2 Ki = 0.06 nM 298.43 CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2CC1CC1 Homo sapiens CHEMBL1019878 cell-based format
CHEMBL3927136 OBDepict CH 3 H 3 C H H 2 N H O O H O H 3 C H O H N OH Ki = 0.06 nM 510.68 CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL4092640 OBDepict HO N ClH Ki = 0.061 nM 373.97 Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1 Homo sapiens CHEMBL4019244 cell-based format
CHEMBL2338724 OBDepict H 3 C O H H O HO H H N HO Ki = 0.062 nM 493.69 CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL250993 OBDepict Br N H O CH 3 H CH 3 N Ki = 0.063 nM 481.48 C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc(Br)c4)cc3[C@@]1(C)CCN2CC1CC1 Homo sapiens CHEMBL941714 cell-based format
CHEMBL518712 OBDepict H N N CH 3 H CH 3 N Ki = 0.063 nM 295.43 C[C@H]1C2Cc3cc4nc[nH]c4cc3[C@@]1(C)CCN2CC1CC1 Homo sapiens CHEMBL1030606 cell-based format
CHEMBL313484 OBDepict O N H 3 C H N F F F Ki = 0.064 nM 390.45 CN(C(=O)Cc1cccc(C(F)(F)F)c1)[C@H](CN1CCCC1)c1ccccc1 Homo sapiens CHEMBL751205 single protein format
CHEMBL82919 OBDepict O N H 3 C H N + N O _ O Ki = 0.065 nM 367.45 CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](CN1CCCC1)c1ccccc1 Homo sapiens CHEMBL751205 single protein format
CHEMBL2338753 OBDepict H 3 C O H H O HO CH 3 H N HO Ki = 0.065 nM 515.69 CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL1766024 OBDepict CH 3 N H S N H N H Ki = 0.066 nM 367.56 CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1 Homo sapiens CHEMBL1769426 cell-based format
CHEMBL2338721 OBDepict CH 3 O H H O OH H H N OH H 3 C CH 3 Ki = 0.067 nM 467.65 CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL2338737 OBDepict CH 3 O H H O OH H H 3 C CH 3 H N OH Ki = 0.067 nM 439.6 CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL2338747 OBDepict H 3 C O H H O HO CH 3 H N HO Ki = 0.069 nM 493.69 CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL3691865 OBDepict H 2 N N H O H O CH 3 H O H N OH Ki = 0.07 nM 453.58 CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3705986 cell-based format
CHEMBL357334 OBDepict CH 3 O O O O H H N Ki = 0.07 nM 509.73 COC(=O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 Homo sapiens CHEMBL752737 assay format
CHEMBL4109954 OBDepict N O H O H N H 3 C H O Ki = 0.07 nM 496.65 CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL3691859 OBDepict H 3 C O H H O NH H N O HO N H Ki = 0.07 nM 493.65 CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1CCCN1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3705986 cell-based format
CHEMBL3085528 OBDepict OH CH 3 H CH 3 H N Ki = 0.07 nM 271.4 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 Homo sapiens CHEMBL941714 cell-based format
CHEMBL3691877 OBDepict H 3 C O H H O NH S H N O O H 3 C HO Ki = 0.07 nM 550.72 CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3705986 cell-based format
CHEMBL289683 OBDepict OH CH 3 H 3 C N Ki = 0.07 nM 271.4 CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1 Homo sapiens CHEMBL2213839 cell-based format
CHEMBL226217 OBDepict OH H H N N S NH 2 Ki = 0.07 nM 367.52 Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2 Homo sapiens CHEMBL904885 cell membrane format
CHEMBL56585 OBDepict OH CH 3 H CH 3 H N Ki = 0.07 nM 271.4 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 Homo sapiens CHEMBL1019878 cell-based format
CHEMBL4115222 OBDepict CH 3 O H H O O H N O OH NH 2 H Ki = 0.07 nM 544.69 CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL4090181 OBDepict OH F N ClH Ki = 0.072 nM 363.9 Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1F Homo sapiens CHEMBL4019244 cell-based format
CHEMBL2338746 OBDepict H 3 C O H H O HO CH 3 H N HO Ki = 0.074 nM 479.66 CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL2338740 OBDepict H 3 C O H H O HO H H N HO Ki = 0.078 nM 465.63 CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL301160 OBDepict OH H H N Ki = 0.079 nM 311.47 Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 Homo sapiens CHEMBL754913 assay format
CHEMBL3691878 OBDepict H 3 C O H H O NH S H N O O HO Ki = 0.08 nM 536.69 CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3705986 cell-based format
CHEMBL95302 OBDepict HO O HO H N HO N N N N H H 3 C CH 3 Ki = 0.08 nM 385.42 CC(C)c1ccccc1Nc1ncnc2c1ncn2[C@H]1OC(CO)C(O)C1O Homo sapiens CHEMBL3889194 cell-based format
CHEMBL4111231 OBDepict H 3 C O H H O O H NH HO Ki = 0.08 nM 433.55 CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@H]2O5 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL1795712 OBDepict CH 2 N H OH H O H N H HO O I Ki = 0.08 nM 558.42 C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5 Homo sapiens CHEMBL1799267 cell-based format
CHEMBL4112656 OBDepict CH 3 O O H O H HN CH 3 H O Ki = 0.08 nM 447.58 COc1ccc2c3c1O[C@@H]1[C@]34CCN[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL3581740 OBDepict H 3 C O CH 3 H O HO H H N HO Ki = 0.08 nM 485.62 CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3583931 cell-based format
CHEMBL606986 OBDepict OH O H O O H N O Ki = 0.08 nM 489.61 O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCCO2)[C@H]1O5 Homo sapiens CHEMBL872675 cell-based format
CHEMBL3691888 OBDepict CH 3 O H H O N H H N NH O OH Ki = 0.08 nM 515.65 COC12CC[C@@]3(C[C@@H]1CNC(=O)Nc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3705986 cell-based format
CHEMBL3291216 OBDepict F O H H O HO CH 3 H N HO CH 3 Ki = 0.08 nM 505.63 CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(OCCF)C=C[C@@]3(C[C@@H]2[C@@](C)(O)CCc2ccccc2)[C@H]1C5 Homo sapiens CHEMBL3293117 cell-based format
CHEMBL2338752 OBDepict H 3 C O H H O HO CH 3 H N HO Ki = 0.082 nM 501.67 CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL2338714 OBDepict CH 3 O H H O OH CH 3 H N OH H 3 C CH 3 Ki = 0.082 nM 479.66 CO[C@]12C=C[C@@]3(C[C@@H]1[C@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL3086308 OBDepict CH 3 N H N S H H N OH BrH Ki = 0.084 nM 462.46 Br.CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2 Homo sapiens CHEMBL3090462 cell-based format
CHEMBL2338722 OBDepict H 3 C O H H O HO H H N HO Ki = 0.086 nM 465.63 CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL87069 OBDepict O N H 3 C H N NH 2 Cl Cl Ki = 0.086 nM 406.36 CN(C(=O)Cc1ccc(Cl)c(Cl)c1N)[C@H](CN1CCCC1)c1ccccc1 Homo sapiens CHEMBL751205 single protein format
CHEMBL2338723 OBDepict H 3 C O H H O HO H H N HO Ki = 0.086 nM 479.66 CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL2338727 OBDepict H 3 C O H H O HO H H N HO Ki = 0.086 nM 507.72 CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL4110639 OBDepict CH 3 O H H O O H N OH N N Ki = 0.09 nM 539.68 CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(-n4ccnc4)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL3916122 OBDepict H 3 C O O H O H N H 3 C H O Ki = 0.09 nM 501.67 COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL2338741 OBDepict H 3 C O H H O HO H H N HO Ki = 0.09 nM 479.66 CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL3695677 OBDepict OH H H N N O NH 2 CH 3 H Ki = 0.09 nM 369.51 C[C@H](N)C(=O)N1CC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1 Homo sapiens CHEMBL3707541 assay format
CHEMBL412050 OBDepict O N H H H O HO H N OH Ki = 0.09 nM 474.6 O=C(CCc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 Homo sapiens CHEMBL950283 cell-based format
CHEMBL3691855 OBDepict CH 3 H 3 C H H 2 N H N H O H O H 3 C H O H N OH Ki = 0.09 nM 509.69 CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 Homo sapiens CHEMBL3705986 cell-based format
CHEMBL3691874 OBDepict CH 3 O H H O HN H N O OH NH 2 H O NH 2 Ki = 0.09 nM 510.64 CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(N)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3705986 cell-based format
CHEMBL87653 OBDepict O N H 3 C H N + N O _ O Cl Cl Ki = 0.091 nM 436.34 CN(C(=O)Cc1ccc(Cl)c(Cl)c1[N+](=O)[O-])[C@H](CN1CCCC1)c1ccccc1 Homo sapiens CHEMBL751205 single protein format
CHEMBL2338744 OBDepict CH 3 O H H O OH CH 3 H N H 3 C H 3 C OH Ki = 0.092 nM 467.65 CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL2340175 cell-based format
CHEMBL3581756 OBDepict H 3 C O CH 3 H O HO H H N HO Cl Ki = 0.094 nM 522.09 CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3583931 cell-based format
CHEMBL424609 OBDepict O N CH 3 H N N Cl S S O O H 3 C O O CH 3 Cl Ki = 0.096 nM 562.54 CN(C(=O)Cc1ccc(Cl)c(Cl)c1N(S(C)(=O)=O)S(C)(=O)=O)[C@H](CN1CCCC1)c1ccccc1 Homo sapiens CHEMBL751205 single protein format
CHEMBL4106746 OBDepict H 3 C O H H O O H N O H 2 N Ki = 0.1 nM 514.67 CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3887790 cell-based format
CHEMBL272215 OBDepict O N H H Cl H O Cl HO H N OH Ki = 0.1 nM 515.44 O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL950283 cell-based format