HOME LIGAND hPROTEOME OTHERS DOCUMENT

P48039 | MTR1A_HUMAN | Melatonin receptor type 1A (MTNR1A)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_3 ]

download pymol session



[ 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
CHEMBL1774523 OBDepict CH 3 N H O O O Ki = 0.0065 nM 309.36 CC(=O)NCCC1=C(c2ccoc2)Cc2ccc3c(c21)CCO3 Homo sapiens CHEMBL1775434 cell-based format
CHEMBL131252 OBDepict H 3 C N H O O CH 3 Ki = 0.008 nM 297.4 CCCC(=O)NCC1CCc2cccc3ccc(OC)c1c23 Homo sapiens CHEMBL713111 cell-based format
CHEMBL1774522 OBDepict CH 3 N H O O Ki = 0.0082 nM 319.4 CC(=O)NCCC1=C(c2ccccc2)Cc2ccc3c(c21)CCO3 Homo sapiens CHEMBL1775434 cell-based format
CHEMBL1774521 OBDepict H 3 C N H O Br O Ki = 0.0087 nM 322.2 CC(=O)NCCC1=C(Br)Cc2ccc3c(c21)CCO3 Homo sapiens CHEMBL1775434 cell-based format
CHEMBL330137 OBDepict H 2 C N H O O O CH 3 Ki = 0.01 nM 335.4 C=CCC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12 Homo sapiens CHEMBL714106 cell-based format
CHEMBL287560 OBDepict CH 3 O O N H O H 3 C Ki = 0.01 nM 309.37 COc1ccc2oc(-c3ccccc3)c(CCNC(C)=O)c2c1 Homo sapiens CHEMBL714106 cell-based format
CHEMBL132802 OBDepict CH 3 O N H O H 3 C Ki = 0.01 nM 269.34 COc1ccc2cccc3c2c1C(CNC(C)=O)CC3 Homo sapiens CHEMBL713111 cell-based format
CHEMBL336054 OBDepict H 3 C N H O O H 3 C O H 3 C Ki = 0.012 nM 313.4 CCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23 Homo sapiens CHEMBL713111 cell-based format
CHEMBL1774514 OBDepict CH 3 N H O CH 3 CH 3 O Ki = 0.013 nM 299.41 CCC(=O)NCCC1=C(C(C)C)Cc2ccc3c(c21)CCO3 Homo sapiens CHEMBL1775434 cell-based format
CHEMBL1218 OBDepict CH 3 HN O H O Ki = 0.0138 nM 259.35 CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3 Homo sapiens CHEMBL712573 single protein format
CHEMBL336509 OBDepict CH 3 O N H O O H 3 C H 3 C Ki = 0.015 nM 299.37 COc1ccc2ccc(OC)c3c2c1CCC3CNC(C)=O Homo sapiens CHEMBL713111 cell-based format
CHEMBL340832 OBDepict H 3 C N H O O CH 3 O H 3 C Ki = 0.016 nM 327.42 CCCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23 Homo sapiens CHEMBL713111 cell-based format
CHEMBL314512 OBDepict CH 2 N H O O O H 3 C Ki = 0.02 nM 321.38 C=CC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12 Homo sapiens CHEMBL714106 cell-based format
CHEMBL3648361 OBDepict H 3 C N H O O N IC50 = 0.022 nM 376.5 CC(=O)NCCC1CCc2ccc3nc(CCCCc4ccccc4)oc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL1774513 OBDepict H 3 C HN O CH 3 H 3 C O Ki = 0.024 nM 285.39 CC(=O)NCCC1=C(C(C)C)Cc2ccc3c(c21)CCO3 Homo sapiens CHEMBL1775434 cell-based format
CHEMBL1802028 OBDepict H 3 C N H O N N O Ki = 0.026 nM 299.37 CCC(=O)NCCc1c(C2CC2)nn2ccc3c(c12)CCO3 Homo sapiens CHEMBL1803861 cell-based format
CHEMBL133416 OBDepict H 3 C O N H O O CH 3 Ki = 0.026 nM 325.41 COc1ccc2ccc(OC)c3c2c1CCC3CNC(=O)C1CC1 Homo sapiens CHEMBL713111 cell-based format
CHEMBL4868554 OBDepict CH 3 N H O S N H 3 C Ki = 0.027 nM 288.42 CCC(=O)NCCC1CCc2ccc3nc(C)sc3c21 Homo sapiens CHEMBL4835153 cell membrane format
CHEMBL2314259 OBDepict H 3 C O N H O O CH 3 CH 3 Ki = 0.03 nM 271.32 COc1ccc2ccc(OC)c(/C=C/NC(C)=O)c2c1 Homo sapiens CHEMBL2318042 cell-based format
CHEMBL14417 OBDepict CH 3 HN O O O N H O H 3 C Ki = 0.03 nM 596.81 CC(=O)NCCc1cccc2ccc(OCCCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Homo sapiens CHEMBL714104 cell-based format
CHEMBL3612603 OBDepict CH 3 NH O N CH 3 O H 3 C Ki = 0.03 nM 262.35 CCC(=O)NCC1CCc2c(OC)cccc2N1C Homo sapiens CHEMBL3614202 cell-based format
CHEMBL3648359 OBDepict CH 3 HN O H O N H 3 C IC50 = 0.03 nM 272.35 CCC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL3648356 OBDepict CH 3 N H O H O N H 3 C Ki = 0.031 nM 258.32 CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c21 Homo sapiens CHEMBL4835153 cell membrane format
CHEMBL1774516 OBDepict O NH F F F H 3 C CH 3 O Ki = 0.032 nM 339.36 CC(C)C1=C(CCNC(=O)C(F)(F)F)c2c(ccc3c2CCO3)C1 Homo sapiens CHEMBL1775434 cell-based format
CHEMBL3648362 OBDepict H 3 C N H O S N H 3 C Ki = 0.037 nM 274.39 CC(=O)NCCC1CCc2ccc3nc(C)sc3c21 Homo sapiens CHEMBL4835153 cell membrane format
CHEMBL3648363 OBDepict CH 3 N H O H S N H 3 C IC50 = 0.038 nM 274.39 CC(=O)NCC[C@@H]1CCc2ccc3nc(C)sc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL1802026 OBDepict H 3 C N N N H O O CH 3 Ki = 0.039 nM 287.36 CCC(=O)NCCc1c(CC)nn2ccc3c(c12)CCO3 Homo sapiens CHEMBL1803861 cell-based format
CHEMBL1823015 OBDepict CH 3 O N N H HN O H 3 C Ki = 0.04 nM 309.37 COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2n1 Homo sapiens CHEMBL1827743 cell-based format
CHEMBL94838 OBDepict CH 3 N H N H O O O H 3 C Ki = 0.04 nM 324.38 CNC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12 Homo sapiens CHEMBL714106 cell-based format
CHEMBL3765540 OBDepict CH 3 O N O N H O H 3 C Ki = 0.04 nM 310.35 COc1ccc2oc(-c3ccccc3)c(CCNC(C)=O)c2n1 Homo sapiens CHEMBL3768199 cell-based format
CHEMBL2314255 OBDepict CH 3 O N H O H 3 C Ki = 0.04 nM 241.29 COc1ccc2cccc(/C=C/NC(C)=O)c2c1 Homo sapiens CHEMBL2318042 cell-based format
CHEMBL1802027 OBDepict H 3 C N H O N N O Ki = 0.044 nM 285.35 CC(=O)NCCc1c(C2CC2)nn2ccc3c(c12)CCO3 Homo sapiens CHEMBL1803861 cell-based format
CHEMBL1774512 OBDepict H 3 C N H O O Ki = 0.045 nM 243.31 CC(=O)NCCC1=CCc2ccc3c(c21)CCO3 Homo sapiens CHEMBL1775434 cell-based format
CHEMBL2112727 OBDepict H 3 C N H O H H O N H 3 C Ki = 0.05 nM 272.35 CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12 Homo sapiens CHEMBL715944 cell-based format
CHEMBL2112734 OBDepict O HN H H O N Ki = 0.05 nM 388.51 O=C(NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12)C1CC1 Homo sapiens CHEMBL715944 cell-based format
CHEMBL8168 OBDepict CH 3 O N CH 3 HN O H 3 C Ki = 0.05 nM 270.33 COc1cccc(N(C)c2ccc(NC(C)=O)cc2)c1 Homo sapiens CHEMBL713258 single protein format
CHEMBL19026 OBDepict H 3 C N H O H H O NH Ki = 0.05 nM 392.54 CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CCCCc1ccccc1)N2 Homo sapiens CHEMBL715944 cell-based format
CHEMBL14136 OBDepict CH 3 HN O O O N H O CH 3 Ki = 0.05 nM 568.76 CC(=O)NCCc1cccc2ccc(OCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Homo sapiens CHEMBL714104 cell-based format
CHEMBL2112722 OBDepict CH 3 HN O H H O N H 3 C Ki = 0.05 nM 286.38 CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12 Homo sapiens CHEMBL715944 cell-based format
CHEMBL273787 OBDepict CH 3 HN O O O N H O CH 3 Ki = 0.05 nM 526.68 CC(=O)NCCc1cccc2ccc(OCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Homo sapiens CHEMBL714104 cell-based format
CHEMBL2112700 OBDepict H 3 C N H O H H O N Ki = 0.05 nM 362.47 CC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12 Homo sapiens CHEMBL715944 cell-based format
CHEMBL2112724 OBDepict CH 3 O N H H N H O Ki = 0.05 nM 284.36 CCc1nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2o1 Homo sapiens CHEMBL715944 cell-based format
CHEMBL2112690 OBDepict CH 3 HN O H H O N Ki = 0.05 nM 376.5 CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12 Homo sapiens CHEMBL715944 cell-based format
CHEMBL1946221 OBDepict CH 3 O N H O F F Ki = 0.054 nM 279.29 COc1ccc2cccc(CCNC(=O)C(F)F)c2c1 Homo sapiens CHEMBL3745570 cell-based format
CHEMBL3648356 OBDepict CH 3 N H O H O N H 3 C IC50 = 0.057 nM 258.32 CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL1774526 OBDepict CH 3 O NH O O CH 3 Ki = 0.057 nM 349.43 COc1cccc(C2=C(CCNC(C)=O)c3c(ccc4c3CCO4)C2)c1 Homo sapiens CHEMBL1775434 cell-based format
CHEMBL129890 OBDepict H 3 C N H O O H 3 C O H 3 C Ki = 0.057 nM 341.45 CCCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23 Homo sapiens CHEMBL713111 cell-based format
CHEMBL10878 OBDepict CH 3 O N H O H 3 C Ki = 0.06 nM 243.31 COc1ccc2cccc(CCNC(C)=O)c2c1 Homo sapiens CHEMBL714104 cell-based format
CHEMBL2314253 OBDepict CH 3 O H H N H O H 3 C O H 3 C Ki = 0.06 nM 285.34 COc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1 Homo sapiens CHEMBL2318042 cell-based format
CHEMBL1802025 OBDepict CH 3 N N N H O O H 3 C Ki = 0.062 nM 273.34 CCc1nn2ccc3c(c2c1CCNC(C)=O)CCO3 Homo sapiens CHEMBL1803861 cell-based format
CHEMBL3648355 OBDepict H 3 C N H O O N H 3 C Ki = 0.067 nM 258.32 CC(=O)NCCC1CCc2ccc3nc(C)oc3c21 Homo sapiens CHEMBL4835153 cell membrane format
CHEMBL3648358 OBDepict CH 3 N H O O N H 3 C Ki = 0.067 nM 272.35 CCC(=O)NCCC1CCc2ccc3nc(C)oc3c21 Homo sapiens CHEMBL4835153 cell membrane format
CHEMBL3648350 OBDepict H 3 C N H O O N H 3 C IC50 = 0.068 nM 256.31 CC(=O)NCCC1=CCc2ccc3nc(C)oc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL1774524 OBDepict CH 3 N H O N O Ki = 0.069 nM 320.39 CC(=O)NCCC1=C(c2cccnc2)Cc2ccc3c(c21)CCO3 Homo sapiens CHEMBL1775434 cell-based format
CHEMBL1095196 OBDepict CH 3 O O O O HN O H 3 C Ki = 0.07 nM 499.61 COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Homo sapiens CHEMBL1108334 cell-based format
CHEMBL337024 OBDepict CH 3 NH O O CH 3 O H 3 C Ki = 0.07 nM 327.42 CCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23 Homo sapiens CHEMBL713111 cell-based format
CHEMBL4114715 OBDepict H 3 C N H O O N IC50 = 0.079 nM 374.48 CC(=O)NC/C=C1CCc2ccc3nc(CCCCc4ccccc4)oc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL13985 OBDepict CH 3 NH O O O N H O CH 3 Ki = 0.08 nM 540.7 CC(=O)NCCc1cccc2ccc(OCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Homo sapiens CHEMBL714104 cell-based format
CHEMBL289233 OBDepict CH 3 O N H I HN O H 3 C Ki = 0.08 nM 358.18 COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Homo sapiens CHEMBL715947 cell-based format
CHEMBL300056 OBDepict CH 3 O N H 3 C I N H O H 3 C Ki = 0.08 nM 372.21 COc1ccc2c(c1)c(CCNC(C)=O)c(I)n2C Homo sapiens CHEMBL713259 cell-based format
CHEMBL1802022 OBDepict CH 3 N H O N N O Ki = 0.082 nM 321.38 CC(=O)NCCc1c(-c2ccccc2)nn2ccc3c(c12)CCO3 Homo sapiens CHEMBL1803861 cell-based format
CHEMBL1802024 OBDepict CH 3 N N NH O O H 3 C Ki = 0.083 nM 273.34 CCC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3 Homo sapiens CHEMBL1803861 cell-based format
CHEMBL1094212 OBDepict OH O O NH O H 3 C Ki = 0.09 nM 483.61 CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(-c4ccc(CO)cc4)cc3)cc12 Homo sapiens CHEMBL1108334 cell-based format
CHEMBL3648369 OBDepict O HN F F F O N CH 3 IC50 = 0.095 nM 312.29 Cc1nc2ccc3c(c2o1)C(CCNC(=O)C(F)(F)F)CC3 Homo sapiens CHEMBL3705070 single protein format
CHEMBL291857 OBDepict H 3 C NH O O H 3 C O CH 3 Ki = 0.099 nM 287.36 CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12 Homo sapiens CHEMBL715948 cell-based format
CHEMBL4278248 OBDepict H 3 C O H 3 C HN O CH 3 Ki = 0.1 nM 283.37 COc1ccc2ccc3c(c2c1)C(C)(CNC(C)=O)CC3 Homo sapiens CHEMBL4252022 cell-based format
CHEMBL2314257 OBDepict CH 3 O N H O H 3 C Ki = 0.1 nM 241.29 COc1ccc2ccccc2c1/C=C/NC(C)=O Homo sapiens CHEMBL2318042 cell-based format
CHEMBL132340 OBDepict CH 3 O NH O H 3 C Ki = 0.1 nM 283.37 COc1ccc2cccc3c2c1C(CCNC(C)=O)CC3 Homo sapiens CHEMBL713111 cell-based format
CHEMBL130542 OBDepict CH 3 N H O O CH 3 Ki = 0.1 nM 269.34 CCC(=O)NCC1Cc2cccc3ccc(OC)c1c23 Homo sapiens CHEMBL713111 cell-based format
CHEMBL1774515 OBDepict O N H H 3 C H 3 C O Ki = 0.11 nM 311.43 CC(C)C1=C(CCNC(=O)C2CC2)c2c(ccc3c2CCO3)C1 Homo sapiens CHEMBL1775434 cell-based format
CHEMBL130490 OBDepict CH 3 O N H O CH 3 Ki = 0.12 nM 255.32 COc1ccc2cccc3c2c1C(CNC(C)=O)C3 Homo sapiens CHEMBL713111 cell-based format
CHEMBL18845 OBDepict O NH H 3 C H 3 C H H O HN Ki = 0.13 nM 392.54 CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CCCCc1ccccc1)N2 Homo sapiens CHEMBL715944 cell-based format
CHEMBL3648358 OBDepict CH 3 N H O O N H 3 C IC50 = 0.13 nM 272.35 CCC(=O)NCCC1CCc2ccc3nc(C)oc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL136531 OBDepict H 3 C HN O H N O Ki = 0.14 nM 274.36 CCCC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1 Homo sapiens CHEMBL715946 cell-based format
CHEMBL4467954 OBDepict CH 3 N H O N H O Ki = 0.15 nM 322.41 CC(=O)NCCc1c[nH]c2ccc(OCCc3ccccc3)cc12 Homo sapiens CHEMBL4324458 cell-based format
CHEMBL323332 OBDepict CH 3 O O N H O H 3 C Ki = 0.15 nM 233.27 COc1ccc2occ(CCNC(C)=O)c2c1 Homo sapiens CHEMBL714106 cell-based format
CHEMBL3648362 OBDepict H 3 C N H O S N H 3 C IC50 = 0.15 nM 274.39 CC(=O)NCCC1CCc2ccc3nc(C)sc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL3648355 OBDepict H 3 C N H O O N H 3 C IC50 = 0.15 nM 258.32 CC(=O)NCCC1CCc2ccc3nc(C)oc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL1802023 OBDepict CH 3 N N NH O O CH 3 Ki = 0.16 nM 259.31 CC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3 Homo sapiens CHEMBL1803861 cell-based format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 0.17 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121485 single protein format
CHEMBL4874630 OBDepict CH 3 N H O N N H 3 C Ki = 0.17 nM 271.36 CCC(=O)NCCC1CCc2ccn3nc(C)cc3c21 Homo sapiens CHEMBL4835153 cell membrane format
CHEMBL343825 OBDepict CH 3 HN O H N O Ki = 0.18 nM 260.34 CCC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1 Homo sapiens CHEMBL715946 cell-based format
CHEMBL279343 OBDepict CH 3 O N H H H N H O Ki = 0.18 nM 300.4 CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2O1 Homo sapiens CHEMBL715944 cell-based format
CHEMBL4115681 OBDepict H 3 C N H O S N H 3 C IC50 = 0.19 nM 272.37 CC(=O)NC/C=C1CCc2ccc3nc(C)sc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL129889 OBDepict H 3 C N H O O H 3 C Ki = 0.19 nM 283.37 CCC(=O)NCC1CCc2c(OC)ccc3cccc1c23 Homo sapiens CHEMBL713111 cell-based format
CHEMBL3765401 OBDepict CH 3 O N O I N H O H 3 C Ki = 0.2 nM 360.15 COc1ccc2oc(I)c(CCNC(C)=O)c2n1 Homo sapiens CHEMBL3768199 cell-based format
CHEMBL1760944 OBDepict CH 3 O N N H HN O H 3 C Ki = 0.2 nM 233.27 COc1ccc2[nH]cc(CCNC(C)=O)c2n1 Homo sapiens CHEMBL1763819 cell-based format
CHEMBL2314260 OBDepict H 3 C NH NH O O H 3 C O CH 3 Ki = 0.2 nM 286.33 CNC(=O)N/C=C/c1c(OC)ccc2ccc(OC)cc12 Homo sapiens CHEMBL2318042 cell-based format
CHEMBL3763503 OBDepict CH 3 O N O N H O H 3 C F Ki = 0.2 nM 328.34 COc1ccc2oc(-c3ccc(F)cc3)c(CCNC(C)=O)c2n1 Homo sapiens CHEMBL3768199 cell-based format
CHEMBL431103 OBDepict CH 3 NH O H H NH O CH 3 H 3 C Ki = 0.2 nM 288.39 CCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1 Homo sapiens CHEMBL715944 cell-based format
CHEMBL130898 OBDepict CH 3 O NH O H 3 C O H 3 C Ki = 0.2 nM 313.4 COc1ccc2ccc(OC)c3c2c1CCC3CCNC(C)=O Homo sapiens CHEMBL713111 cell-based format
CHEMBL4874010 OBDepict H 3 C N H O N N H 3 C Ki = 0.2 nM 257.34 CC(=O)NCCC1CCc2ccn3nc(C)cc3c21 Homo sapiens CHEMBL4835153 cell membrane format
CHEMBL276921 OBDepict CH 3 O NH H H NH O H 3 C Ki = 0.22 nM 288.39 CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CC)c2O1 Homo sapiens CHEMBL715944 cell-based format
CHEMBL3648365 OBDepict CH 3 N O N H O H 3 C Ki = 0.22 nM 272.35 CCc1nc2ccc3c(c2o1)C(CCNC(C)=O)CC3 Homo sapiens CHEMBL4835153 cell membrane format
CHEMBL336858 OBDepict CH 3 NH O O CH 3 Ki = 0.22 nM 283.37 CCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23 Homo sapiens CHEMBL713111 cell-based format
CHEMBL3648368 OBDepict O N H O N H 3 C IC50 = 0.25 nM 284.36 Cc1nc2ccc3c(c2o1)C(CCNC(=O)C1CC1)CC3 Homo sapiens CHEMBL3705070 single protein format
CHEMBL4114700 OBDepict CH 3 N H O O N H 3 C IC50 = 0.25 nM 270.33 CCC(=O)NC/C=C1CCc2ccc3nc(C)oc3c21 Homo sapiens CHEMBL3705070 single protein format
CHEMBL1095831 OBDepict H 3 C HN O O O NH O CH 3 Ki = 0.26 nM 516.68 CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4c(c3)C(CCNC(C)=O)CCC4)cc12 Homo sapiens CHEMBL1108334 cell-based format
CHEMBL4293386 OBDepict CH 3 O N H O H 3 C Ki = 0.3 nM 269.34 COc1ccc2ccc3c(c2c1)C(CNC(C)=O)CC3 Homo sapiens CHEMBL4252022 cell-based format
CHEMBL52755 OBDepict CH 3 O + N O _ O N I H N H O H 3 C Ki = 0.3 nM 403.18 COc1cc2c(CCNC(C)=O)c(I)[nH]c2cc1[N+](=O)[O-] Homo sapiens CHEMBL713259 cell-based format