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Q5BJF2 | SGMR2_HUMAN | Sigma intracellular receptor 2 (TMEM97)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL61479 OBDepict F N N O Ki = 0.12 nM 454.59 Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1 Homo sapiens CHEMBL4148656 single protein format
CHEMBL227126 OBDepict F O O CH 3 N H O I N O O H 3 C H 3 C Ki = 0.26 nM 585.44 COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(I)cc(OC)c1OCC[18F])CC2 Homo sapiens CHEMBL4148656 single protein format
CHEMBL53325 OBDepict CH 3 O N N Ki = 0.34 nM 370.58 COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL4148656 single protein format
CHEMBL4853196 OBDepict CH 3 O O CH 3 N CH 3 H Cl Cl Ki = 0.44 nM 380.32 COc1cc2c(cc1OC)CN([C@H](C)CCc1ccc(Cl)c(Cl)c1)C2 Homo sapiens CHEMBL4839716 single protein format
CHEMBL4647871 OBDepict H 3 C CH 3 S S N OH O O OH Ki = 0.59 nM 411.59 CC1(C)SCC(CN2CCC(Cc3ccccc3)CC2)S1.O=C(O)C(=O)O Homo sapiens CHEMBL4616323 single protein format
CHEMBL3321792 OBDepict Cl HO N S F Ki = 2.2 nM 405.97 OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4577233 OBDepict F S N N N Cl Ki = 2.2 nM 379.93 Fc1ccc(SCCCN2CCCN(c3ccc(Cl)cn3)CC2)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4446729 OBDepict HO N N F N N Cl Ki = 2.7 nM 390.89 O/N=C(/CCCN1CCCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4642427 OBDepict S S N OH O O OH Ki = 3.0 nM 437.63 O=C(O)C(=O)O.c1ccc(CC2CCN(CC3CSC4(CCCC4)S3)CC2)cc1 Homo sapiens CHEMBL4616323 single protein format
CHEMBL4633444 OBDepict H 3 C CH 3 S S N N OH O O OH OH O O OH Ki = 3.3 nM 502.61 CC1(C)SCC(CN2CCN(Cc3ccccc3)CC2)S1.O=C(O)C(=O)O.O=C(O)C(=O)O Homo sapiens CHEMBL4616323 single protein format
CHEMBL4590308 OBDepict Cl N O O N Ki = 3.8 nM 322.84 O=c1oc2ccc(Cl)cc2n1CCCCN1CCCCCC1 Homo sapiens CHEMBL4395237 single protein format
CHEMBL4454365 OBDepict CH 3 N H O Ki = 4.6 nM 325.5 CN(CC1CCCCC1)[C@H]1CC[C@]2(CC1)OC=Cc1ccccc12 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL1940412 OBDepict F O N N Ki = 5.12 nM 314.4 Fc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4169075 OBDepict NH 2 N H H O HN O O H 3 C CH 3 Ki = 5.19 nM 403.57 COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@H](C1)N2CCCCCCN Homo sapiens CHEMBL4148656 single protein format
CHEMBL4562709 OBDepict CH 3 N H O Ki = 5.5 nM 327.51 CN(CC1CCCCC1)[C@H]1CC[C@]2(CC1)OCCc1ccccc12 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL476108 OBDepict F O N N Cl Ki = 5.6 nM 374.89 O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL1946126 OBDepict F O N N Cl Ki = 5.9 nM 362.88 Fc1ccc(OCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4646948 OBDepict H 3 C CH 3 O O N OH O O OH Ki = 6.2 nM 379.45 CC1(C)OCC(CN2CCC(Cc3ccccc3)CC2)O1.O=C(O)C(=O)O Homo sapiens CHEMBL4616323 single protein format
CHEMBL4578868 OBDepict H N H O Ki = 6.7 nM 311.47 C1=Cc2ccccc2[C@]2(CC[C@H](NCC3CCCCC3)CC2)O1 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4562511 OBDepict H N H O Ki = 7.0 nM 311.47 C1=Cc2ccccc2[C@]2(CC[C@@H](NCC3CCCCC3)CC2)O1 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL2261102 OBDepict CH 3 O N H N H O CH 3 Cl H H H 3 C N Ki = 7.21 nM 387.91 CNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1Cl Homo sapiens CHEMBL4822011 single protein format
CHEMBL4470646 OBDepict H 3 C O O H N CH 3 Ki = 7.6 nM 343.51 COC1O[C@]2(CC[C@@H](N(C)CC3CCCCC3)CC2)c2ccccc21 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4441396 OBDepict Cl N S O N Ki = 7.61 nM 338.9 O=c1sc2ccc(Cl)cc2n1CCCCN1CCCCCC1 Homo sapiens CHEMBL4395237 single protein format
CHEMBL4564017 OBDepict Cl N S S N Ki = 7.9 nM 340.95 Clc1ccc2sc(SCCCN3CCCCCC3)nc2c1 Homo sapiens CHEMBL4395237 single protein format
CHEMBL4574793 OBDepict F O N N N Cl Ki = 8.0 nM 375.88 O=C(CCCN1CCCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4472927 OBDepict H N H O Ki = 8.0 nM 313.49 c1ccc2c(c1)CCO[C@]21CC[C@H](NCC2CCCCC2)CC1 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4634957 OBDepict S S N OH O O OH Ki = 8.1 nM 465.68 O=C(O)C(=O)O.c1ccc(CC2CCN(CC3CSC4(CCCCCC4)S3)CC2)cc1 Homo sapiens CHEMBL4616323 single protein format
CHEMBL3321791 OBDepict Cl HO N S F Ki = 8.1 nM 405.97 OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4573441 OBDepict F O N N N Cl Ki = 8.4 nM 361.85 O=C(CCCN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4069507 OBDepict _ O + N O F F F N H N Ki = 8.4 nM 435.49 O=[N+]([O-])c1ccc(NCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Homo sapiens CHEMBL4022868 single protein format
CHEMBL4846092 OBDepict OH O H 3 C H 3 C CH 3 N CH 3 H 3 C S O O CH 3 Ki = 8.5 nM 431.6 CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(S(C)(=O)=O)cc3C2)ccc1O Homo sapiens CHEMBL4839716 single protein format
CHEMBL1946253 OBDepict F N N Cl Ki = 8.5 nM 360.9 Fc1ccc(CCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4865307 OBDepict CH 3 O OH N H CH 3 F F F Ki = 9.0 nM 353.38 COc1cc(CCC(C)NCc2ccc(C(F)(F)F)cc2)ccc1O Homo sapiens CHEMBL4839716 single protein format
CHEMBL4463331 OBDepict H 3 C O O H N CH 3 Ki = 9.4 nM 343.51 COC1O[C@]2(CC[C@H](N(C)CC3CCCCC3)CC2)c2ccccc21 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL291439 OBDepict CH 3 O O CH 3 N N H O O Br H 3 C O CH 3 Ki = 10.3 nM 507.43 COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2 Homo sapiens CHEMBL4822011 single protein format
CHEMBL60048 OBDepict CH 3 O O CH 3 N N H O O CH 3 H 3 C Ki = 10.33 nM 412.53 COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OC)CC2 Homo sapiens CHEMBL4148656 single protein format
CHEMBL4441861 OBDepict CH 3 O O H N H Ki = 11.0 nM 329.48 COC1O[C@]2(CC[C@@H](NCC3CCCCC3)CC2)c2ccccc21 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4867297 OBDepict H 3 C O CH 3 HO N H 3 C CH 3 F Ki = 11.0 nM 357.47 CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O Homo sapiens CHEMBL4839716 single protein format
CHEMBL4456267 OBDepict Cl N O S N Ki = 11.0 nM 338.9 Clc1ccc2oc(SCCCCN3CCCCCC3)nc2c1 Homo sapiens CHEMBL4395237 single protein format
CHEMBL4467945 OBDepict CH 3 N H O Ki = 12.0 nM 327.51 CN(CC1CCCCC1)[C@H]1CC[C@@]2(CC1)OCCc1ccccc12 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4643239 OBDepict S S N OH O O OH Ki = 12.0 nM 383.54 O=C(O)C(=O)O.c1ccc(CC2CCN(CC3CSCS3)CC2)cc1 Homo sapiens CHEMBL4616323 single protein format
CHEMBL1188414 OBDepict N N N Ki = 12.6 nM 375.56 c1ccc2c(c1)c1ccccc1n2CCCN1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL4148656 single protein format
CHEMBL4562252 OBDepict CH 3 O O H N H 3 C Ki = 13.0 nM 357.54 COC1Cc2ccccc2[C@]2(CC[C@H](N(C)CC3CCCCC3)CC2)O1 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4581305 OBDepict OH N N F N N Ki = 13.1 nM 356.44 O/N=C(/CCCN1CCCN(c2ccccn2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4459303 OBDepict CH 3 O O H N CH 3 Ki = 14.0 nM 371.57 CCOC1Cc2ccccc2[C@]2(CC[C@H](N(C)CC3CCCCC3)CC2)O1 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4647090 OBDepict OH O N H N N F F F Ki = 15.0 nM 345.37 OC1COCCC1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 Homo sapiens CHEMBL4622426 cell-based format
CHEMBL54 OBDepict F O N HO Cl Ki = 16.0 nM 375.87 O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4022868 single protein format
CHEMBL4532845 OBDepict CH 3 O O H N H Ki = 16.0 nM 357.54 CCOC1Cc2ccccc2[C@]2(CC[C@@H](NCC3CCCCC3)CC2)O1 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4448336 OBDepict Cl N O S N Ki = 16.0 nM 324.88 Clc1ccc2oc(SCCCN3CCCCCC3)nc2c1 Homo sapiens CHEMBL4395237 single protein format
CHEMBL4577975 OBDepict CH 3 N H O Ki = 16.0 nM 325.5 CN(CC1CCCCC1)[C@H]1CC[C@@]2(CC1)OC=Cc1ccccc12 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4104454 OBDepict CH 3 O O CH 3 N N H + N F F F O _ O Ki = 16.2 nM 439.43 COc1cc2c(cc1OC)CN(CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 Homo sapiens CHEMBL4022868 single protein format
CHEMBL4793144 OBDepict CH 3 N N N N N CH 3 H 3 C CH 3 Ki = 17.0 nM 417.6 Cn1nc(CN2CCN(CCc3ccccc3)CC2)nc1-c1ccc(C(C)(C)C)cc1 Homo sapiens CHEMBL4775636 cell membrane format
CHEMBL1229211 OBDepict F F N H O N O OH H O N O H H 3 C Ki = 18.0 nM 419.38 C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 Homo sapiens CHEMBL4616034 single protein format
CHEMBL3321789 OBDepict F O N OH Cl Ki = 18.0 nM 389.9 OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4646941 OBDepict _ O + N O O N H O N Ki = 19.0 nM 369.42 O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(CO[N+](=O)[O-])c1 Homo sapiens CHEMBL4616034 single protein format
CHEMBL4165285 OBDepict CH 3 N N H O Cl Ki = 20.0 nM 330.86 CN(CCCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1 Homo sapiens CHEMBL4131892 cell-based format
CHEMBL282433 OBDepict NH N H HN CH 3 H 3 C Ki = 20.0 nM 239.32 Cc1ccccc1NC(=N)Nc1ccccc1C Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4455014 OBDepict Cl N S S N Ki = 21.8 nM 354.97 Clc1ccc2sc(SCCCCN3CCCCCC3)nc2c1 Homo sapiens CHEMBL4395237 single protein format
CHEMBL4089029 OBDepict _ O + N O F F F NH N Ki = 22.3 nM 421.46 O=[N+]([O-])c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Homo sapiens CHEMBL4022868 single protein format
CHEMBL4084057 OBDepict CH 3 O O CH 3 N N H + N F F F O _ O Ki = 23.0 nM 453.46 COc1cc2c(cc1OC)CN(CCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 Homo sapiens CHEMBL4022868 single protein format
CHEMBL4079680 OBDepict CH 3 O O CH 3 N N H + N F F F O _ O Ki = 23.8 nM 425.41 COc1cc2c(cc1OC)CN(CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 Homo sapiens CHEMBL4022868 single protein format
CHEMBL4096734 OBDepict _ O + N O F F F NH N Ki = 24.0 nM 449.52 O=[N+]([O-])c1ccc(NCCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Homo sapiens CHEMBL4022868 single protein format
CHEMBL1940414 OBDepict O N N Ki = 25.1 nM 296.41 c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4102036 OBDepict CH 3 O O CH 3 N N H + N F F F O _ O Ki = 25.5 nM 467.49 COc1cc2c(cc1OC)CN(CCCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 Homo sapiens CHEMBL4022868 single protein format
CHEMBL4554850 OBDepict OH N N F N N N Ki = 26.0 nM 357.43 O/N=C(/CCCN1CCCN(c2ncccn2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL3321788 OBDepict F N OH Cl Ki = 27.0 nM 387.93 OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL3321790 OBDepict F S N OH Cl Ki = 29.0 nM 405.97 OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4632842 OBDepict H S S N OH O O OH Ki = 30.0 nM 485.67 O=C(O)C(=O)O.c1ccc(CC2CCN(C[C@@H]3CS[C@]4(CCc5ccccc54)S3)CC2)cc1 Homo sapiens CHEMBL4616323 single protein format
CHEMBL4167498 OBDepict CH 3 N O N N H O H N H H 3 C Ki = 32.0 nM 328.42 CCn1c(=O)n(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 Homo sapiens CHEMBL4148656 single protein format
CHEMBL4533305 OBDepict F O N N N Ki = 32.0 nM 341.43 O=C(CCCN1CCCN(c2ccccn2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4557149 OBDepict H N H O Ki = 33.0 nM 313.49 c1ccc2c(c1)CCO[C@]21CC[C@@H](NCC2CCCCC2)CC1 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL1940413 OBDepict Cl N N O Ki = 33.0 nM 330.86 Clc1ccc(N2CCN(CCCOc3ccccc3)CC2)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4483557 OBDepict CH 3 O O H N H Ki = 39.0 nM 329.48 COC1O[C@]2(CC[C@H](NCC3CCCCC3)CC2)c2ccccc21 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4462108 OBDepict F N N N Cl Ki = 43.0 nM 347.87 Fc1ccc(CCCCN2CCN(c3ccc(Cl)cn3)CC2)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4516724 OBDepict F O N N N N Ki = 44.0 nM 342.42 O=C(CCCN1CCCN(c2ncccn2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4562728 OBDepict CH 3 O O H N H Ki = 46.0 nM 357.54 CCOC1Cc2ccccc2[C@]2(CC[C@H](NCC3CCCCC3)CC2)O1 Homo sapiens CHEMBL4386118 cell-based format
CHEMBL4168782 OBDepict CH 3 N N H O Cl Cl Ki = 48.0 nM 351.28 CN(CCCNC(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccc1 Homo sapiens CHEMBL4131892 cell-based format
CHEMBL4848550 OBDepict Cl Cl NH H 3 C H F F F Ki = 48.0 nM 376.25 C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL4839716 single protein format
CHEMBL4161016 OBDepict CH 3 NH O N CH 3 Ki = 49.0 nM 338.5 CCCCc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1 Homo sapiens CHEMBL4131892 cell-based format
CHEMBL4863873 OBDepict Cl N H CH 3 H F F F Ki = 50.0 nM 341.8 C[C@H](CCc1ccc(Cl)cc1)NCc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL4839716 single protein format
CHEMBL1940408 OBDepict F N N Cl Ki = 51.5 nM 346.88 Fc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL340211 OBDepict F O N N N Ki = 52.0 nM 327.4 O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4390736 cell-based format
CHEMBL4161984 OBDepict CH 3 N N H O Cl Cl Ki = 59.0 nM 351.28 CN(CCCNC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 Homo sapiens CHEMBL4131892 cell-based format
CHEMBL4635880 OBDepict H S S N CH 3 OH O O HO Ki = 63.0 nM 473.66 C[C@]1(c2ccccc2)SC[C@H](CN2CCC(Cc3ccccc3)CC2)S1.O=C(O)C(=O)O Homo sapiens CHEMBL4616323 single protein format
CHEMBL4472505 OBDepict Cl N O O N Ki = 64.1 nM 308.81 O=c1oc2ccc(Cl)cc2n1CCCN1CCCCCC1 Homo sapiens CHEMBL4395237 single protein format
CHEMBL4640577 OBDepict H S S N OH O O OH Ki = 65.0 nM 485.67 O=C(O)C(=O)O.c1ccc(CC2CCN(C[C@H]3CS[C@]4(CCc5ccccc54)S3)CC2)cc1 Homo sapiens CHEMBL4616323 single protein format
CHEMBL4580124 OBDepict Cl N S O N Ki = 68.8 nM 324.88 O=c1sc2ccc(Cl)cc2n1CCCN1CCCCCC1 Homo sapiens CHEMBL4395237 single protein format
CHEMBL4634076 OBDepict _ O + N O O NH O N Ki = 70.0 nM 439.56 O=C(NCCCCCN1CCC(Cc2ccccc2)CC1)c1ccc(CO[N+](=O)[O-])cc1 Homo sapiens CHEMBL4616034 single protein format
CHEMBL4634854 OBDepict N S S OH O O OH Ki = 71.0 nM 533.72 O=C(O)C(=O)O.c1ccc(CC2CCN(CC3CSC4(S3)c3ccccc3-c3ccccc34)CC2)cc1 Homo sapiens CHEMBL4616323 single protein format
CHEMBL4647577 OBDepict _ O + N O O N H O N Ki = 75.0 nM 425.53 O=C(NCCCCN1CCC(Cc2ccccc2)CC1)c1cccc(CO[N+](=O)[O-])c1 Homo sapiens CHEMBL4616034 single protein format
CHEMBL4060828 OBDepict _ O + N O F F F HN N Ki = 76.1 nM 407.44 O=[N+]([O-])c1ccc(NCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Homo sapiens CHEMBL4022868 single protein format
CHEMBL4876663 OBDepict CH 3 O OH N CH 3 H F Ki = 79.0 nM 315.39 COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O Homo sapiens CHEMBL4839716 single protein format
CHEMBL4645160 OBDepict H S S N CH 3 OH O O HO Ki = 85.0 nM 473.66 C[C@]1(c2ccccc2)SC[C@@H](CN2CCC(Cc3ccccc3)CC2)S1.O=C(O)C(=O)O Homo sapiens CHEMBL4616323 single protein format
CHEMBL4521420 OBDepict Cl N O S N Ki = 87.0 nM 310.85 Clc1ccc2oc(SCCN3CCCCCC3)nc2c1 Homo sapiens CHEMBL4395237 single protein format
CHEMBL4644344 OBDepict H S S N OH O O OH Ki = 87.0 nM 499.7 O=C(O)C(=O)O.c1ccc(CC2CCN(C[C@@H]3CS[C@@]4(CCCc5ccccc54)S3)CC2)cc1 Homo sapiens CHEMBL4616323 single protein format
CHEMBL4636822 OBDepict _ O + N O O NH O N Ki = 89.0 nM 425.53 O=C(NCCCCN1CCC(Cc2ccccc2)CC1)c1ccc(CO[N+](=O)[O-])cc1 Homo sapiens CHEMBL4616034 single protein format
CHEMBL4637859 OBDepict S S N N OH O O OH OH O O OH Ki = 90.0 nM 474.56 O=C(O)C(=O)O.O=C(O)C(=O)O.c1ccc(CN2CCN(CC3CSCS3)CC2)cc1 Homo sapiens CHEMBL4616323 single protein format
CHEMBL1215855 OBDepict H 3 C O N H N H H H H CH 3 Ki = 90.4 nM 310.44 CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13 Homo sapiens CHEMBL4148656 single protein format
CHEMBL4649845 OBDepict _ O + N O O N H O N Ki = 93.0 nM 411.5 O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cccc(CO[N+](=O)[O-])c1 Homo sapiens CHEMBL4616034 single protein format
CHEMBL4443319 OBDepict CH 3 O O H N CH 3 Ki = 93.0 nM 371.57 CCOC1Cc2ccccc2[C@]2(CC[C@@H](N(C)CC3CCCCC3)CC2)O1 Homo sapiens CHEMBL4386118 cell-based format