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P30559 | OXYR_HUMAN | Oxytocin receptor (OXTR)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL429736 OBDepict CH 3 H 3 C H H N O NH O H H N O N O H 3 C O Ki = 0.65 nM 494.59 CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1 Homo sapiens CHEMBL946012 single protein format
CHEMBL25353 OBDepict O N O N N O O F F F O Ki = 0.86 nM 533.55 O=C(Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761401 single protein format
CHEMBL2113181 OBDepict HO N H O S N O O HN O N Cl O HN Ki = 0.9 nM 598.08 O=C(CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1)NCCCO Homo sapiens CHEMBL863355 cell-based format
CHEMBL2113185 OBDepict O HN N N S O O O N O O N H Cl Ki = 0.9 nM 598.08 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1C(=O)Nc2ccccc21 Homo sapiens CHEMBL863355 cell-based format
CHEMBL2113201 OBDepict H 3 C N H 3 C O S N O O N H O N Cl O HN Ki = 1.1 nM 570.07 CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL24526 OBDepict O N O N O O O F F F N O CH 3 Ki = 1.4 nM 589.61 CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 Homo sapiens CHEMBL761401 single protein format
CHEMBL278818 OBDepict O N O N O O O F F F N O Ki = 1.4 nM 577.6 O=C(Cc1ccc(OCCN2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761401 single protein format
CHEMBL2113189 OBDepict CH 3 N H 3 C O S N O O NH O N Cl O N H O Ki = 1.6 nM 598.08 CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL104237 OBDepict CH 3 O O N O F H 3 C H N N O O Ki = 2.0 nM 505.55 COc1cc(O[C@H](C)c2ccncc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL2113203 OBDepict CH 3 N H 3 C O S N O O N H O N Cl O HN Ki = 2.1 nM 556.04 CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL24682 OBDepict O N O N O F F F O O N O CH 3 Ki = 2.4 nM 575.58 CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OC(F)(F)F)c2)CC1 Homo sapiens CHEMBL761401 single protein format
CHEMBL2113208 OBDepict H 3 C O O O S N O O N H O N Cl O HN Ki = 3.0 nM 587.05 COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL303487 OBDepict CH 3 O O N O N N O O + N CH 3 _ O Ki = 3.5 nM 586.69 COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL322187 OBDepict CH 3 O O N O CH 3 H N N O O Ki = 3.9 nM 487.56 COc1cc(O[C@H](C)c2ccncc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL2113198 OBDepict H 3 C O S N O O N H O N Cl O HN Ki = 3.9 nM 512.98 CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL2113179 OBDepict HO S N O O N H O N Cl O HN Ki = 4.1 nM 527.0 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1C(=O)Nc2ccccc21 Homo sapiens CHEMBL863355 cell-based format
CHEMBL306645 OBDepict CH 3 O O N O N N O O CH 3 + N _ O Ki = 4.1 nM 586.69 COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL25120 OBDepict O N O N O O F F F Ki = 4.5 nM 448.44 O=C(Cc1ccccc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761401 single protein format
CHEMBL24781 OBDepict CH 3 O O N O N N O H 3 C O O Ki = 4.6 nM 507.59 COc1cc(OC2CCN(C(C)=O)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761402 single protein format
CHEMBL154668 OBDepict O HN H 2 N H H S O O CH 3 S CH 3 CH 3 N O O N CH 3 IC50 = 4.62 nM 554.78 Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 Homo sapiens CHEMBL4726271 cell-based format
CHEMBL2391300 OBDepict H 3 C N H H N H O S H O O CH 3 H S H 3 C H 3 C N O O N H 3 C Ki = 5.2 nM 568.81 CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C Homo sapiens CHEMBL2394479 single protein format
CHEMBL105406 OBDepict CH 3 O O N O H 3 C N N O O Ki = 5.4 nM 487.56 COc1cc(OC(C)c2cccnc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL467378 OBDepict CH 3 O N N CH 3 N N N N CH 3 F Ki = 6.0 nM 376.4 COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 Homo sapiens CHEMBL1253141 cell-based format
CHEMBL2113211 OBDepict H 3 C O O S N O O N H O N Cl O HN Ki = 7.0 nM 543.0 COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL2113177 OBDepict O HN N N S O O HN N O O N H Cl Ki = 7.0 nM 597.1 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1C(=O)Nc2ccccc21 Homo sapiens CHEMBL863355 cell-based format
CHEMBL105514 OBDepict CH 3 O O N O F H 3 C H N + N _ O O O Ki = 7.34 nM 521.55 COc1cc(O[C@H](C)c2cc[n+]([O-])cc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL68978 OBDepict CH 3 O O N O N N O O N Ki = 7.8 nM 556.66 COc1cc(OC2CCN(Cc3ccncc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL102994 OBDepict CH 3 O O N O H 3 C N O O Ki = 7.9 nM 486.57 COc1cc(OC(C)c2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL2113207 OBDepict Cl N S O O N H O N O HN Ki = 8.7 nM 468.92 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C1C(=O)Nc2ccccc21 Homo sapiens CHEMBL863355 cell-based format
CHEMBL456263 OBDepict H 3 C O N N S O O N N H 3 C CH 3 N H 3 C Ki = 9.1 nM 463.56 COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 Homo sapiens CHEMBL1253100 tissue-based format
CHEMBL594828 OBDepict H 3 C O N N N N N O O CH 3 Cl F Ki = 9.5 nM 419.84 COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 Homo sapiens CHEMBL1253100 tissue-based format
CHEMBL279230 OBDepict CH 3 O O N O N N O CH 3 O O Ki = 9.8 nM 521.61 COc1cc(OC2CCN(C(C)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761401 single protein format
CHEMBL4209421 OBDepict Cl N O Ki < 10.0 nM 285.77 O=C(c1ccc(Cl)cc1)N1CCCCc2ccccc21 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL4218739 OBDepict Br N O Ki < 10.0 nM 330.23 O=C(c1ccc(Br)cc1)N1CCCCc2ccccc21 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL344848 OBDepict H 2 N N O Ki < 10.0 nM 266.34 Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL4207413 OBDepict O N + N CH 3 CH 3 CH 3 Ki < 10.0 nM 309.43 C[N+](C)(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL4216873 OBDepict CH 3 N N N O O Ki < 10.0 nM 345.4 Cc1ccn(-c2ccc(C(=O)N3CCCC(=O)c4ccccc43)cc2)n1 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL2113209 OBDepict H 3 C O S N O O N H O N Cl O HN Ki = 10.0 nM 527.0 CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL4215258 OBDepict H 3 C N N Cl N O O Ki < 10.0 nM 379.85 Cc1ccn(-c2ccc(C(=O)N3CCCC(=O)c4ccccc43)c(Cl)c2)n1 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL4209266 OBDepict CH 3 N N Cl N O Ki < 10.0 nM 317.82 Cc1ccn(-c2ccc(C(=O)N3CCCCCC3)c(Cl)c2)n1 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL68914 OBDepict CH 3 O O N O N N O O N Ki = 10.0 nM 556.66 COc1cc(OC2CCN(Cc3cccnc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL4210854 OBDepict O N Ki = 10.4 nM 327.43 O=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL69539 OBDepict CH 3 O O N O N N O O + N _ O Ki = 11.0 nM 572.66 COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL69520 OBDepict CH 3 O O N O N N O O CH 3 N Ki = 11.0 nM 570.69 COc1cc(OC2CCN(Cc3cccnc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL1253853 OBDepict O HN H 2 N H H S O O CH 3 H S CH 3 CH 3 N O O N CH 3 Ki = 13.0 nM 554.78 Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CC[C@H](C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 Homo sapiens CHEMBL1253100 tissue-based format
CHEMBL68752 OBDepict CH 3 O O N O N N O O + N CH 3 _ O Ki = 13.0 nM 586.69 COc1cc(OC2CCN(Cc3cc(C)c[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL1254117 OBDepict H 3 C O S N O O N H O N CH 3 O HN Ki = 14.0 nM 492.56 CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL68373 OBDepict CH 3 O O N O N N O O + N _ O H 3 C Ki = 14.0 nM 586.69 COc1cc(OC2CCN(Cc3ccc(C)[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL372122 OBDepict H 3 C O S N O O N H O N Cl HO Ki = 15.0 nM 487.97 CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL2424668 OBDepict F O O N O HN N O ClH Ki = 15.0 nM 546.08 Cl.O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 Homo sapiens CHEMBL2428811 single protein format
CHEMBL104530 OBDepict CH 3 O O CH 3 N O N O O Ki = 15.0 nM 410.47 CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL66749 OBDepict CH 3 O O N O N N H 3 C O O N Ki = 16.0 nM 570.69 COc1cc(OC2CCN(C(C)c3cccnc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL2017869 OBDepict F O O N O N S N O O CH 3 O Ki = 16.0 nM 587.71 CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 Homo sapiens CHEMBL2019478 single protein format
CHEMBL601931 OBDepict H 3 C N N Cl N O N H N N CH 3 Ki = 17.0 nM 418.89 Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 Homo sapiens CHEMBL1065226 cell-based format
CHEMBL3392901 OBDepict O NH NH 2 S O O CH 3 S CH 3 CH 3 N O O N CH 3 Ki = 17.0 nM 554.78 Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(CC2NC(=O)C(N)CCS(C)(=O)=O)C3(C)C)CC1 Homo sapiens CHEMBL4000808 cell-based format
CHEMBL105039 OBDepict CH 3 O O N O CH 3 H 3 C N O O Ki = 17.0 nM 424.5 COc1cc(OC(C)C)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL2113210 OBDepict H 3 C O S N O O N H O N Cl O HN Ki = 18.0 nM 541.03 CCCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL371223 OBDepict H 3 C O O S H 3 C N O O N O N Cl HO N H Ki = 18.0 nM 528.97 COc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1OC Homo sapiens CHEMBL863355 cell-based format
CHEMBL2113215 OBDepict H 3 C O S N O O N H O N CH 3 O HN Ki = 20.0 nM 478.53 COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL2113216 OBDepict H 3 C O S N O O N H O N CH 3 O HN Ki = 21.0 nM 506.58 CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL66567 OBDepict CH 3 O O N O N N O O N Ki = 23.0 nM 556.66 COc1cc(OC2CCN(Cc3ccccn3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL358793 OBDepict O O N N O O N O CH 3 Ki = 24.0 nM 477.56 CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 Homo sapiens CHEMBL761402 single protein format
CHEMBL605373 OBDepict CH 3 N N CH 3 N O N H N N H 3 C Ki = 27.8 nM 398.47 Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 Homo sapiens CHEMBL1065226 cell-based format
CHEMBL3416757 OBDepict CH 3 N N CH 3 N O N H N N H 3 C Ki = 27.8 nM 412.5 Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 Homo sapiens CHEMBL3419762 single protein format
CHEMBL1254024 OBDepict CH 3 O N N H O NH O OH H CH 3 Ki = 28.0 nM 471.56 CO/N=C1/C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 Homo sapiens CHEMBL1253116 cell-based format
CHEMBL492029 OBDepict H 3 C O N N N N O CH 3 CH 3 O CH 3 Ki = 28.0 nM 368.44 CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1 Homo sapiens CHEMBL1253141 cell-based format
CHEMBL2017979 OBDepict CH 3 O O N O N S N O O CH 3 O Ki = 28.0 nM 555.7 COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 Homo sapiens CHEMBL2019478 single protein format
CHEMBL304577 OBDepict CH 3 O O N O N N O O Ki = 29.0 nM 555.68 COc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL119793 OBDepict O N H H 3 C N O Ki = 30.0 nM 384.48 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 Homo sapiens CHEMBL2175259 single protein format
CHEMBL26877 OBDepict H 3 C O O CH 3 N O N O O Ki = 33.0 nM 410.47 COc1ccc(CC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 Homo sapiens CHEMBL761401 single protein format
CHEMBL200403 OBDepict H 3 C O S N O O N O N HO N H Ki = 36.0 nM 478.53 CCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccccc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL2113212 OBDepict H 3 C S N O O N H O N Cl O HN Ki = 36.0 nM 511.0 CCCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL2113204 OBDepict O HN N N S O O S O N H Cl Ki = 37.0 nM 474.95 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)N/N=C1C(=O)Nc2ccccc21 Homo sapiens CHEMBL863355 cell-based format
CHEMBL4218211 OBDepict H 3 C N O Ki = 37.4 nM 307.44 CCCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL1254210 OBDepict CH 3 O N N H O O N N H 3 C H 3 C Ki = 50.0 nM 390.44 CO/N=C1/C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 Homo sapiens CHEMBL1253141 cell-based format
CHEMBL318174 OBDepict CH 3 O O N O H 3 C N N O O O H 3 C Ki = 54.0 nM 535.64 COc1cc(OC(C)C2CCN(C(C)=O)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL1254297 OBDepict CH 3 O N N CH 3 N N O CH 3 Ki = 56.0 nM 372.43 COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cn1 Homo sapiens CHEMBL1253141 cell-based format
CHEMBL102762 OBDepict CH 3 O O CH 3 N O N O O Ki = 58.0 nM 500.6 CCC(Oc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1)c1ccccc1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL200329 OBDepict H 3 C O S N O O N H O N H 3 C HO Ki = 60.0 nM 467.55 CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL2113213 OBDepict O N H N N S O O H 3 C CH 3 H 3 C O HN Cl Ki = 61.0 nM 525.03 CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL338522 OBDepict O N H H N N H S CH 3 CH 3 H N O O Ki = 61.0 nM 510.7 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]cn1)C2 Homo sapiens CHEMBL753723 single protein format
CHEMBL4217872 OBDepict O NH NH N S CH 3 H 3 C CH 3 N O HN N N H 3 C Ki = 61.0 nM 491.62 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C Homo sapiens CHEMBL4201619 cell-based format
CHEMBL2113202 OBDepict H 3 C O S N O O N H O N Cl O HN N Ki = 64.0 nM 513.96 CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL115305 OBDepict H 3 C N S O O N H O N OH Ki = 67.0 nM 423.49 Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL200792 OBDepict Cl N S O O N H O N OH Ki = 67.0 nM 443.91 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O Homo sapiens CHEMBL863355 cell-based format
CHEMBL319646 OBDepict CH 3 O O N O N O O Ki = 73.0 nM 472.54 COc1cc(OCc2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL105960 OBDepict CH 3 O O N O H 3 C N N H O O Ki = 73.0 nM 493.6 COc1cc(OC(C)C2CCNCC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL761405 cell-based format
CHEMBL2017980 OBDepict O N OH N O O N S O O CH 3 Ki = 78.0 nM 541.67 CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(O)c2)CC1 Homo sapiens CHEMBL2019478 single protein format
CHEMBL69498 OBDepict CH 3 O O N O HN N O O Ki = 82.0 nM 465.55 COc1cc(OC2CCNCC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 Homo sapiens CHEMBL762236 single protein format
CHEMBL4206233 OBDepict CH 3 N N N O Ki = 84.0 nM 331.42 Cc1ccn(-c2ccc(C(=O)N3CCCCc4ccccc43)cc2)n1 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL27157 OBDepict H 3 C O O N O CH 3 N O O Ki = 87.0 nM 396.44 COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 Homo sapiens CHEMBL761401 single protein format
CHEMBL1254116 OBDepict O N H N N S O O O HN Ki = 90.0 nM 434.48 O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C1C(=O)Nc2ccccc21 Homo sapiens CHEMBL863355 cell-based format
CHEMBL200415 OBDepict O N H N S O O H 3 C Cl CH 3 Ki = 93.0 nM 428.94 Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL1254025 OBDepict HO H N N O O CH 3 CH 3 Ki = 95.0 nM 338.41 CO/N=C1/C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 Homo sapiens CHEMBL1253116 cell-based format
CHEMBL114302 OBDepict CH 3 O N S O O NH O CH 3 Cl Ki = 100.0 nM 444.94 COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL4206482 OBDepict H 3 C N O Ki = 104.0 nM 293.41 CCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 Homo sapiens CHEMBL4201601 cell-based format
CHEMBL382515 OBDepict O N N N S O O HO N H CH 3 Ki = 104.0 nM 524.6 Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format
CHEMBL603708 OBDepict O N H N O Ki = 109.0 nM 446.55 O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL1065226 cell-based format
CHEMBL602872 OBDepict CH 3 N H N O O HN N N H 3 C Ki = 111.0 nM 513.6 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL1065226 cell-based format
CHEMBL2113205 OBDepict N S N O O N H O N CH 3 O HN Ki = 111.0 nM 473.51 Cc1ccc(N(CC(=O)N/N=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C#N)cc2)cc1 Homo sapiens CHEMBL863355 cell-based format