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P41143 | OPRD_HUMAN | Delta-type opioid receptor (OPRD1)

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
CHEMBL422258 OBDepict OH O N H O N H H O OH N OH Ki = 0.005 nM 515.57 O=C(O)CNC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3 Homo sapiens CHEMBL756033 assay format
CHEMBL67192 OBDepict H 3 C N O H 3 C N O O Ki = 0.01 nM 508.66 CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)c2ccccc2)cc1 Homo sapiens CHEMBL752130 single protein format
CHEMBL100940 OBDepict OH O H O OH H N Ki = 0.013 nM 415.49 Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 Homo sapiens CHEMBL758768 cell membrane format
CHEMBL132420 OBDepict OH O H N OH N H O OH Ki = 0.013 nM 458.51 O=C(O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3 Homo sapiens CHEMBL756033 assay format
CHEMBL477154 OBDepict OH O H N OH H N CH 3 Ki = 0.02 nM 428.53 Cn1c2c(c3ccccc31)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5 Homo sapiens CHEMBL758179 cell membrane format
CHEMBL610529 OBDepict OH O H N OH H N H F Ki = 0.02 nM 432.5 Oc1ccc2c3c1O[C@H]1c4[nH]c5c(F)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 Homo sapiens CHEMBL758179 cell membrane format
CHEMBL3758292 OBDepict OH H 3 C CH 3 NH 2 H N O H HN O N N H Ki = 0.021 nM 497.6 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1 Homo sapiens CHEMBL3762573 single protein format
CHEMBL67846 OBDepict CH 3 N O H 3 C H NH H Ki = 0.023 nM 374.53 CCN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1 Homo sapiens CHEMBL752130 single protein format
CHEMBL63732 OBDepict CH 2 N H H N O H 3 C H 3 C Ki = 0.025 nM 414.59 C=CCN1[C@H]2CC[C@@H]1C/C(=C(/c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2 Homo sapiens CHEMBL752130 single protein format
CHEMBL469815 OBDepict H 2 N O HO OH H N N H Ki = 0.025 nM 443.55 NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3 Homo sapiens CHEMBL955070 cell-based format
CHEMBL567175 OBDepict OH O H N OH H N H Ki = 0.03 nM 414.51 Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 Homo sapiens CHEMBL757336 cell membrane format
CHEMBL458631 OBDepict O N H HN O H N O NH 2 H CH 3 CH 3 HO Ki = 0.031 nM 514.63 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 Homo sapiens CHEMBL864704 single protein format
CHEMBL2375157 OBDepict O N H NH O N N H N H H 3 C H H 3 C CH 3 OH Ki = 0.035 nM 539.68 Cc1cc(O)cc(C)c1C[C@@H](C)CN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1 Homo sapiens CHEMBL864704 single protein format
CHEMBL501451 OBDepict O NH N H O H N O NH 2 H CH 3 CH 3 HO Ki = 0.042 nM 500.6 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1 Homo sapiens CHEMBL864704 single protein format
CHEMBL1939740 OBDepict H 3 C N O H 3 C N H N H N O N IC50 = 0.068 nM 525.7 CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(Cc3ccccn3)CC2)cc1 Homo sapiens CHEMBL1943908 cell-based format
CHEMBL1939746 OBDepict H 3 C O NH O N H N N O CH 3 CH 3 N S IC50 = 0.071 nM 535.71 CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(CC)CC)cc2)N2CCN(Cc3cscn3)CC2)c1 Homo sapiens CHEMBL1943908 cell-based format
CHEMBL2113666 OBDepict O NH H N H 3 C H O Cl O Ki = 0.08 nM 448.95 CN1CC[C@]23c4c5cccc4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccccc2Cl)[C@H]1C5 Homo sapiens CHEMBL863623 cell-based format
CHEMBL1946023 OBDepict CH 3 O HN O N N O H 3 C CH 3 F IC50 = 0.082 nM 529.66 CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccc(NC(=O)OC)c2)cc1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL1939751 OBDepict H 3 C O N H O N H N N O CH 3 N CH 3 S IC50 = 0.094 nM 507.66 CCN(C)C(=O)c1ccc([C@H](c2cccc(NC(=O)OC)c2)N2CCN(Cc3cscn3)CC2)cc1 Homo sapiens CHEMBL1943908 cell-based format
CHEMBL3785854 OBDepict OH OH H N N H Ki = 0.0945 nM 400.52 Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3 Homo sapiens CHEMBL3787927 cell-based format
CHEMBL607125 OBDepict O N H H N H 3 C H O CH 3 O OH Ki = 0.11 nM 444.53 Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5 Homo sapiens CHEMBL863623 cell-based format
CHEMBL610046 OBDepict OH O H O OH H N H Ki = 0.12 nM 431.53 O=C1[C@@H](Cc2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 Homo sapiens CHEMBL753309 single protein format
CHEMBL80463 OBDepict O N H N H H N O NH 2 H CH 3 H 3 C OH IC50 = 0.13 nM 472.59 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1 Homo sapiens CHEMBL750413 single protein format
CHEMBL334970 OBDepict OH O N H H O HO O N H H O OH N OH Ki = 0.14 nM 573.6 O=C(O)C[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O Homo sapiens CHEMBL756033 assay format
CHEMBL610009 OBDepict OH O H N OH H N H Br Ki = 0.14 nM 493.4 Oc1ccc2c3c1O[C@H]1c4[nH]c5c(Br)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 Homo sapiens CHEMBL757336 cell membrane format
CHEMBL68412 OBDepict H 3 C NH O HO N S Ki = 0.152 nM 458.63 CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2cccc(O)c2)cc1 Homo sapiens CHEMBL756186 single protein format
CHEMBL4066752 OBDepict HO O N N H O Ki = 0.154 nM 456.59 O=C(c1ccccc1)N1C[C@H]2OC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21 Homo sapiens CHEMBL4035926 cell-based format
CHEMBL2113671 OBDepict H 3 C O H H O O H 3 C H H N HO CH 3 Ki = 0.16 nM 459.59 CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5 Homo sapiens CHEMBL751258 cell-based format
CHEMBL3759292 OBDepict O N H HN O H N O NH 2 H CH 3 CH 3 HO Ki = 0.16 nM 514.63 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1 Homo sapiens CHEMBL3762573 single protein format
CHEMBL3758712 OBDepict O NH N H O H N O NH 2 H CH 3 CH 3 HO Ki = 0.16 nM 500.6 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccccc1 Homo sapiens CHEMBL3762573 single protein format
CHEMBL1946025 OBDepict H 3 C N O H 3 C N N N S IC50 = 0.16 nM 496.68 CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL4634079 OBDepict HO O H N O H N N Ki < 0.169 nM 559.71 Oc1ccc2c3c1O[C@H]1c4ncc(-n5cccc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314 Homo sapiens CHEMBL4630062 cell-based format
CHEMBL375504 OBDepict OH H H N N H Ki = 0.17 nM 398.55 Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3 Homo sapiens CHEMBL904884 cell membrane format
CHEMBL310842 OBDepict O HN N H CH 3 CH 3 H 3 C H N O NH 2 H CH 3 H 3 C OH IC50 = 0.17 nM 452.6 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C Homo sapiens CHEMBL750413 single protein format
CHEMBL1946029 OBDepict O N CH 3 H 3 C N N N S IC50 = 0.17 nM 468.63 CN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL132897 OBDepict NH 2 N H H O HO O N H H O OH N OH Ki = 0.18 nM 572.66 NCCC[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O Homo sapiens CHEMBL756033 assay format
CHEMBL2208356 OBDepict CH 3 O N H O CH 3 H 3 C N Ki = 0.18 nM 508.71 COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1 Homo sapiens CHEMBL2215303 cell-based format
CHEMBL249985 OBDepict CH 3 O N H O CH 3 H H 3 C N Ki = 0.18 nM 508.71 COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CCN(CC5CC5)C(C4)[C@@H]3C)cc2)cc1 Homo sapiens CHEMBL941713 cell-based format
CHEMBL226166 OBDepict OH H H N N H Ki = 0.19 nM 384.52 Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3 Homo sapiens CHEMBL904884 cell membrane format
CHEMBL1946026 OBDepict O N N N N S IC50 = 0.2 nM 494.66 O=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCCC1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL1946016 OBDepict H 3 C N O CH 3 N N F IC50 = 0.2 nM 457.59 CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2ccccn2)cc1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL4083940 OBDepict HO N N H O Ki = 0.211 nM 454.61 O=C(c1ccccc1)N1C[C@H]2CC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21 Homo sapiens CHEMBL4036552 cell-based format
CHEMBL421520 OBDepict OH CH 3 H 3 C NH 2 H N O H N N H HS CH 3 H 3 C CH 3 IC50 = 0.22 nM 468.67 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C/N=C(/S)NC(C)(C)C Homo sapiens CHEMBL750413 single protein format
CHEMBL1946020 OBDepict CH 3 N O H 3 C N H N O CH 3 F IC50 = 0.22 nM 513.66 CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccc(NC(C)=O)c2)cc1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL568818 OBDepict H 3 C N O CH 3 N OH N O Ki = 0.22 nM 461.61 CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccoc3)CC2)cc1 Homo sapiens CHEMBL1043618 single protein format
CHEMBL4081856 OBDepict HO O N N H S O O Ki = 0.221 nM 492.64 O=S(=O)(c1ccccc1)N1C[C@H]2OC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21 Homo sapiens CHEMBL4035926 cell-based format
CHEMBL25230 OBDepict CH 2 N H H 3 C H CH 3 N H OH N O H 3 C H 3 C IC50 = 0.23 nM 435.61 C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C Homo sapiens CHEMBL750410 single protein format
CHEMBL281786 OBDepict CH 3 O H H O HO CH 3 CH 3 H N OH Ki = 0.23 nM 425.57 CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 Homo sapiens CHEMBL3293116 cell-based format
CHEMBL226217 OBDepict OH H H N N S NH 2 Ki = 0.23 nM 367.52 Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2 Homo sapiens CHEMBL904884 cell membrane format
CHEMBL309307 OBDepict HO CH 3 CH 3 H 2 N H N O H N H O IC50 = 0.24 nM 457.57 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccccc1 Homo sapiens CHEMBL750413 single protein format
CHEMBL302801 OBDepict CH 3 N O H 3 C H N H Ki = 0.24 nM 478.68 CCN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL756186 single protein format
CHEMBL569316 OBDepict H 3 C N O CH 3 N OH N N Ki = 0.24 nM 472.63 CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccn3)CC2)cc1 Homo sapiens CHEMBL1043618 single protein format
CHEMBL210005 OBDepict O NH H 3 C H CH 3 H N Ki = 0.24 nM 478.68 C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@]1(C)CCN2CC1CC1 Homo sapiens CHEMBL870416 cell-based format
CHEMBL2208349 OBDepict H 3 C N CH 3 N H O HO Ki = 0.24 nM 494.68 CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5O)cc4)cc3C1(C)CCN2CC1CC1 Homo sapiens CHEMBL2215303 cell-based format
CHEMBL368522 OBDepict F N H O OH N OH Ki = 0.24 nM 460.55 Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4CCF)C[C@@]4(O)C(C2)N(CC2CC2)CCC314 Homo sapiens CHEMBL754467 single protein format
CHEMBL1946021 OBDepict CH 3 N O H 3 C N N H O CH 3 F IC50 = 0.25 nM 513.66 CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2ccc(NC(C)=O)cc2)cc1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL67790 OBDepict CH 3 HN O N OH S Ki = 0.25 nM 458.63 CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2ccc(O)cc2)cc1 Homo sapiens CHEMBL756186 single protein format
CHEMBL1944652 OBDepict H 3 C N O CH 3 N N F IC50 = 0.26 nM 507.65 CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccc3cccnc23)cc1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL1939749 OBDepict H 3 C O NH O N H N N O CH 3 N CH 3 H 3 C N H IC50 = 0.26 nM 518.66 CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(C)CC)cc2)N2CCN(Cc3nc[nH]c3C)CC2)c1 Homo sapiens CHEMBL1943908 cell-based format
CHEMBL367497 OBDepict CH 3 N H O OH N OH Ki = 0.26 nM 442.56 CCn1c2c(c3ccccc31)C[C@@]1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5 Homo sapiens CHEMBL754467 single protein format
CHEMBL4076632 OBDepict OH N N H NH O Ki = 0.265 nM 469.63 O=C(Nc1ccccc1)N1C[C@H]2CC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21 Homo sapiens CHEMBL4036552 cell-based format
CHEMBL1939738 OBDepict HO N CH 3 O N H N H N O F IC50 = 0.27 nM 544.67 CN(CCO)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(Cc3ccc(F)cc3)CC2)cc1 Homo sapiens CHEMBL1943908 cell-based format
CHEMBL1946027 OBDepict CH 3 N CH 3 O N N N S IC50 = 0.27 nM 482.65 CCN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL75802 OBDepict SH N H N H N O NH 2 H CH 3 H 3 C OH IC50 = 0.27 nM 488.66 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C/N=C(/S)Nc1ccccc1 Homo sapiens CHEMBL750413 single protein format
CHEMBL2113675 OBDepict OH H N H O ClH Ki = 0.27 nM 363.93 Cl.Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3 Homo sapiens CHEMBL758174 assay format
CHEMBL199832 OBDepict OH H N H O Ki = 0.27 nM 327.47 Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3 Homo sapiens CHEMBL858980 cell-based format
CHEMBL584941 OBDepict H 3 C N O CH 3 N OH N S Ki = 0.27 nM 477.67 CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccsc3)CC2)cc1 Homo sapiens CHEMBL1043618 single protein format
CHEMBL1946618 OBDepict OH N CH 3 O N N N S IC50 = 0.28 nM 498.65 CN(CCO)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL3309518 OBDepict O N H O HO H N OH Ki = 0.28 nM 490.64 O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CC1CCCCC1 Homo sapiens CHEMBL3361833 cell-based format
CHEMBL1939737 OBDepict H 3 C N O H 3 C N H N H N O F IC50 = 0.29 nM 542.7 CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(Cc3ccc(F)cc3)CC2)cc1 Homo sapiens CHEMBL1943908 cell-based format
CHEMBL77804 OBDepict HO CH 3 CH 3 NH 2 H N O H HN N H O IC50 = 0.29 nM 530.71 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL750413 single protein format
CHEMBL577615 OBDepict H 3 C N O CH 3 N N O NH 2 Ki = 0.29 nM 484.64 CCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1 Homo sapiens CHEMBL1058546 single protein format
CHEMBL353979 OBDepict CH 3 O O HO CH 3 CH 3 N OH Ki = 0.3 nM 425.57 COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5 Homo sapiens CHEMBL823793 cell membrane format
CHEMBL569956 OBDepict H 3 C N O CH 3 N OH N N N H Ki = 0.3 nM 461.61 CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1 Homo sapiens CHEMBL1043618 single protein format
CHEMBL335936 OBDepict NH 2 N H H O HO O N H H O OH N OH Ki = 0.3 nM 586.69 NCCCC[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O Homo sapiens CHEMBL756033 assay format
CHEMBL304196 OBDepict H 3 C N O CH 3 N H HN H Ki = 0.3 nM 377.53 CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2C[C@@H]3CC[C@H](C2)N3)cc1 Homo sapiens CHEMBL752130 single protein format
CHEMBL511795 OBDepict NH 2 O O H N OH H N H Ki = 0.3 nM 441.53 NC(=O)c1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 Homo sapiens CHEMBL955070 cell-based format
CHEMBL3787263 OBDepict HO OH H N N Ki = 0.303 nM 412.53 Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3 Homo sapiens CHEMBL3787927 cell-based format
CHEMBL4103044 OBDepict HO N N H O O Ki = 0.313 nM 444.58 O=C(c1ccoc1)N1C[C@H]2CC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21 Homo sapiens CHEMBL4036552 cell-based format
CHEMBL567175 OBDepict OH O H N OH H N H IC50 = 0.32 nM 414.51 Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 Homo sapiens CHEMBL750004 cell membrane format
CHEMBL4649916 OBDepict CH 3 O H 3 C H N H H H N CH 3 OH IC50 = 0.32 nM 428.58 CO[C@@]12C=C[C@]34C[C@]1(C)[C@@H](c1ccccc1)N[C@H]2[C@@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 Homo sapiens CHEMBL666287 cell membrane format
CHEMBL304989 OBDepict CH 2 N H H N O H 3 C H 3 C Ki = 0.32 nM 414.59 C=CCN1[C@H]2CC[C@@H]1C/C(=C(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2 Homo sapiens CHEMBL752130 single protein format
CHEMBL25230 OBDepict CH 2 N H H 3 C H CH 3 N H OH N O H 3 C H 3 C Ki = 0.32 nM 435.61 C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C Homo sapiens CHEMBL989026 cell-based format
CHEMBL326235 OBDepict CH 3 CH 3 HN H O H 2 N O HN H O N H O HN CH 3 H O NH 2 H H 3 C CH 3 OH Ki = 0.322 nM 596.73 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O Homo sapiens CHEMBL756189 cell membrane format
CHEMBL76089 OBDepict HO CH 3 CH 3 H 2 N H N O H O IC50 = 0.33 nM 444.58 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCc1ccccc1 Homo sapiens CHEMBL750413 single protein format
CHEMBL2338744 OBDepict CH 3 O H H O OH CH 3 H N H 3 C H 3 C OH Ki = 0.34 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 CHEMBL2342212 cell-based format
CHEMBL1939736 OBDepict H 3 C O N H O N H N N O CH 3 CH 3 S N IC50 = 0.35 nM 521.69 CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)OC)c2)N2CCN(Cc3cncs3)CC2)cc1 Homo sapiens CHEMBL1943908 cell-based format
CHEMBL226114 OBDepict OH H H N N CH 3 H Ki = 0.35 nM 344.46 CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc13 Homo sapiens CHEMBL904884 cell membrane format
CHEMBL4094845 OBDepict OH N N H N N Ki = 0.356 nM 428.58 Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1c1cnccn1)C2 Homo sapiens CHEMBL4036552 cell-based format
CHEMBL63477 OBDepict CH 3 N O H 3 C H NH H Ki = 0.36 nM 374.53 CCN(CC)C(=O)c1ccc(/C(=C2C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1 Homo sapiens CHEMBL752130 single protein format
CHEMBL3309515 OBDepict O N H O HO H N OH Ki = 0.36 nM 484.6 O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1 Homo sapiens CHEMBL3361833 cell-based format
CHEMBL3086756 OBDepict O NH N H H N O H O N O OH ClH Ki = 0.37 nM 539.03 Cl.O=C(CNC(=O)c1ccccn1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5 Homo sapiens CHEMBL3089527 cell-based format
CHEMBL65151 OBDepict H 3 C N O CH 3 N O Ki = 0.38 nM 494.68 CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCOc2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL752130 single protein format
CHEMBL434018 OBDepict CH 2 N OH HN O H 3 C Ki = 0.384 nM 402.54 C=CCN1C2CCC1CC(=C(c1ccc(C(=O)NCC)cc1)c1cccc(O)c1)C2 Homo sapiens CHEMBL756186 single protein format
CHEMBL1946028 OBDepict O N N N N S IC50 = 0.39 nM 480.64 O=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCC1 Homo sapiens CHEMBL1947328 cell-based format
CHEMBL63571 OBDepict CH 3 N N O CH 3 CH 3 Ki = 0.39 nM 416.61 CCCN1C2CCC1CC(=C(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2 Homo sapiens CHEMBL752130 single protein format
CHEMBL368421 OBDepict F N H O OH N OH Ki = 0.4 nM 474.58 Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4CCCF)C[C@@]4(O)C(C2)N(CC2CC2)CCC314 Homo sapiens CHEMBL754467 single protein format
CHEMBL610012 OBDepict OH O H N HO H N Ki = 0.407 nM 426.52 Oc1ccc2c3c1O[C@H]1c4nc5ccccc5cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 Homo sapiens CHEMBL3598351 cell-based format
CHEMBL77001 OBDepict HO CH 3 CH 3 H 2 N H N O H NH IC50 = 0.41 nM 443.59 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1 Homo sapiens CHEMBL750413 single protein format
CHEMBL574640 OBDepict CH 3 O HN O N N N O H 3 C CH 3 Ki = 0.41 nM 514.67 CCN(CC)C(=O)c1ccc(N(c2cccc(NC(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1 Homo sapiens CHEMBL1058546 single protein format