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Q99720 | SGMR1_HUMAN | Sigma non-opioid intracellular receptor 1 (SIGMAR1)

3D structures mapped by conservation among orthologs

[ Domain: "Double-stranded beta-helix" // ERG2_Sigma1R ]

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[ Domain: "Transmembrane helix of sigma-1 receptor" // KOG4143_like ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL372700 OBDepict CH 3 N H CH 3 O H CH 3 H 3 C CH 3 H 3 C Ki = 0.01 nM 303.49 CC(Cc1ccc(C(C)(C)C)cc1)CN1C[C@H](C)O[C@H](C)C1 Homo sapiens CHEMBL839610 single protein format
CHEMBL76758 OBDepict N N Ki = 0.036 nM 354.58 c1ccc2c(c1)CCCC2CCCCN1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL802050 cell membrane format
CHEMBL365842 OBDepict CH 3 N H CH 3 O H H 3 C Ki = 0.04 nM 297.53 CCCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1 Homo sapiens CHEMBL839610 single protein format
CHEMBL541284 OBDepict O O N + N O _ O ClH Ki = 0.05 nM 458.99 Cl.O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 Homo sapiens CHEMBL801234 assay format
CHEMBL304079 OBDepict CH 3 N Ki = 0.07 nM 245.41 CC1CCN(CCCCCc2ccccc2)CC1 Homo sapiens CHEMBL808204 single protein format
CHEMBL302087 OBDepict CH 3 N Ki = 0.09 nM 321.51 CC1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1 Homo sapiens CHEMBL808204 single protein format
CHEMBL67808 OBDepict CH 3 N Ki = 0.13 nM 319.49 CC1CCN(CCCC=C(c2ccccc2)c2ccccc2)CC1 Homo sapiens CHEMBL808204 single protein format
CHEMBL81455 OBDepict H 3 C N S O O I N Ki = 0.14 nM 422.33 CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(I)cc1 Homo sapiens CHEMBL802057 cell membrane format
CHEMBL19355 OBDepict NH Ki = 0.17 nM 267.42 c1ccc(CCCCCNCCc2ccccc2)cc1 Homo sapiens CHEMBL808204 single protein format
CHEMBL356688 OBDepict CH 3 N N Cl Cl Ki = 0.17 nM 329.32 CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCCCC1 Homo sapiens CHEMBL846628 cell membrane format
CHEMBL309983 OBDepict H 3 C N S O O Br N Ki = 0.18 nM 375.33 CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1 Homo sapiens CHEMBL802057 cell membrane format
CHEMBL19314 OBDepict CH 3 N Ki = 0.19 nM 267.42 CN(CCCCCc1ccccc1)Cc1ccccc1 Homo sapiens CHEMBL802063 assay format
CHEMBL370753 OBDepict HO N N N Ki = 0.2 nM 363.5 OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 Homo sapiens CHEMBL839610 single protein format
CHEMBL306133 OBDepict N N Ki = 0.22 nM 350.55 c1ccc2c(CCCCN3CCN(C4CCCCC4)CC3)cccc2c1 Homo sapiens CHEMBL802050 cell membrane format
CHEMBL19544 OBDepict CH 3 N Ki = 0.25 nM 281.44 CN(CCCCCc1ccccc1)CCc1ccccc1 Homo sapiens CHEMBL808204 single protein format
CHEMBL142700 OBDepict CH 3 N N Cl Cl Ki = 0.26 nM 315.29 CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCCC1 Homo sapiens CHEMBL846628 cell membrane format
CHEMBL20036 OBDepict H 3 C N CH 3 Ki = 0.26 nM 197.37 CN(C)CCCCCC1CCCCC1 Homo sapiens CHEMBL802063 assay format
CHEMBL2023825 OBDepict N N IC50 = 0.27 nM 468.73 c1ccc(C(c2ccc(N3CCN(C4CCCCC4)CC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 Homo sapiens CHEMBL2026918 cell-based format
CHEMBL542131 OBDepict O O N + N O _ O ClH Ki = 0.27 nM 473.01 Cl.O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 Homo sapiens CHEMBL801234 assay format
CHEMBL19638 OBDepict N H Ki = 0.28 nM 281.44 c1ccc(CCCCCNCCCc2ccccc2)cc1 Homo sapiens CHEMBL802063 assay format
CHEMBL324392 OBDepict H 3 C N H CH 3 CH 3 HO Ki = 0.29 nM 287.45 CCCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C Homo sapiens CHEMBL846629 assay format
CHEMBL545477 OBDepict H 3 C N CH 3 H H Cl HO ClH IC50 = 0.29 nM 338.28 CN(C)[C@H]1Cc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1.Cl Homo sapiens CHEMBL803752 tissue-based format
CHEMBL20348 OBDepict CH 3 N CH 3 Ki = 0.29 nM 219.37 CCCN(C)CCCCCc1ccccc1 Homo sapiens CHEMBL802063 assay format
CHEMBL179648 OBDepict N N O Ki = 0.3 nM 322.45 c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 Homo sapiens CHEMBL829825 single protein format
CHEMBL362699 OBDepict N N O Ki = 0.3 nM 322.45 c1ccc(CN2CCN(CC3COc4ccccc4C3)CC2)cc1 Homo sapiens CHEMBL829825 single protein format
CHEMBL360351 OBDepict O N N Ki = 0.3 nM 334.46 O=C1CC(CN2CCN(Cc3ccccc3)CC2)Cc2ccccc21 Homo sapiens CHEMBL829825 single protein format
CHEMBL75878 OBDepict CH 3 O N N Ki = 0.31 nM 342.53 COc1cccc2c1CCCC2CN1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL802050 cell membrane format
CHEMBL70807 OBDepict CH 3 N N Cl Cl Ki = 0.31 nM 301.26 CCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL846629 assay format
CHEMBL342809 OBDepict O O HN H 3 C H 3 C CH 3 N O N Ki = 0.32 nM 389.54 CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CCCc2ccccc2)CC1 Homo sapiens CHEMBL802052 cell membrane format
CHEMBL19315 OBDepict N H Ki = 0.32 nM 253.39 c1ccc(CCCCCNCc2ccccc2)cc1 Homo sapiens CHEMBL802063 assay format
CHEMBL555790 OBDepict H N H 3 C O CH 3 Cl ClH Ki = 0.34 nM 304.26 CC1CCN([C@@H](C)COc2ccc(Cl)cc2)CC1.Cl Homo sapiens CHEMBL808202 cell membrane format
CHEMBL77906 OBDepict CH 3 O N N Ki = 0.36 nM 370.58 COc1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL802050 cell membrane format
CHEMBL143089 OBDepict CH 3 N N Cl Cl Ki = 0.38 nM 287.23 CN(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL846628 cell membrane format
CHEMBL19637 OBDepict H 3 C N Ki = 0.38 nM 295.47 CN(CCCCCc1ccccc1)CCCc1ccccc1 Homo sapiens CHEMBL802063 assay format
CHEMBL165848 OBDepict CH 3 O N N Ki = 0.39 nM 296.41 COc1cccc(CN2CCN(Cc3ccccc3)CC2)c1 Homo sapiens CHEMBL809519 single protein format
CHEMBL596 OBDepict CH 3 N O N Ki = 0.39 nM 336.48 CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 Homo sapiens CHEMBL4768234 single protein format
CHEMBL425867 OBDepict O N N Ki = 0.4 nM 334.46 O=C1c2ccccc2CCC1CN1CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL829825 single protein format
CHEMBL309064 OBDepict CH 3 O N N Ki = 0.4 nM 328.5 COc1cccc2c1CCCC2N1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL802050 cell membrane format
CHEMBL94801 OBDepict CH 3 O N N Ki = 0.45 nM 322.45 COc1ccc(C2=CCN(CCCCc3ccncc3)CC2)cc1 Homo sapiens CHEMBL804886 assay format
CHEMBL81500 OBDepict I S N H O O N Ki = 0.46 nM 394.28 O=S(=O)(NCCN1CCCCC1)c1ccc(I)cc1 Homo sapiens CHEMBL802057 cell membrane format
CHEMBL164124 OBDepict Cl N N Ki = 0.46 nM 300.83 Clc1cccc(CN2CCN(Cc3ccccc3)CC2)c1 Homo sapiens CHEMBL809519 single protein format
CHEMBL163876 OBDepict CH 3 O N N Ki = 0.47 nM 296.41 COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 Homo sapiens CHEMBL809519 single protein format
CHEMBL69256 OBDepict CH 3 N Ki = 0.48 nM 357.54 CN(CCCCC(c1ccccc1)c1ccccc1)CCc1ccccc1 Homo sapiens CHEMBL808204 single protein format
CHEMBL20153 OBDepict NH Ki = 0.48 nM 295.47 c1ccc(CCCCCNCCCCc2ccccc2)cc1 Homo sapiens CHEMBL802063 assay format
CHEMBL20188 OBDepict N Ki = 0.48 nM 231.38 c1ccc(CCCCCN2CCCCC2)cc1 Homo sapiens CHEMBL802063 assay format
CHEMBL104834 OBDepict Cl Cl NH H H N Ki = 0.49 nM 341.33 Clc1ccc(CCN[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl Homo sapiens CHEMBL872599 assay format
CHEMBL346409 OBDepict N N IC50 = 0.5 nM 322.5 c1ccc(CCCN2CCN(CCCc3ccccc3)CC2)cc1 Homo sapiens CHEMBL847754 single protein format
CHEMBL129452 OBDepict Cl N O IC50 = 0.5 nM 325.84 O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccccc1 Homo sapiens CHEMBL846480 tissue-based format
CHEMBL39900 OBDepict N S Ki = 0.5 nM 309.48 c1ccc(CN2CCC3(CCc4ccccc4S3)CC2)cc1 Homo sapiens CHEMBL802065 assay format
CHEMBL540013 OBDepict O O N ClH Ki = 0.5 nM 428.02 Cl.O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 Homo sapiens CHEMBL801234 assay format
CHEMBL4643239 OBDepict S S N OH O O OH Ki = 0.5 nM 383.54 O=C(O)C(=O)O.c1ccc(CC2CCN(CC3CSCS3)CC2)cc1 Homo sapiens CHEMBL4616322 single protein format
CHEMBL17470 OBDepict CH 3 CH 3 CH 3 N CH 3 CH 3 H H CH 3 H HO Ki = 0.5 nM 365.65 CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Homo sapiens CHEMBL839610 single protein format
CHEMBL361085 OBDepict Cl HN H H N H Cl Ki = 0.5 nM 391.39 Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1 Homo sapiens CHEMBL839610 single protein format
CHEMBL141501 OBDepict CH 3 N N Cl Cl Ki = 0.51 nM 315.29 CCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1 Homo sapiens CHEMBL846628 cell membrane format
CHEMBL542167 OBDepict H 3 C N CH 3 CH 3 H ClH IC50 = 0.51 nM 301.86 CN(C)[C@@]1(C)Cc2ccccc2[C@H](c2ccccc2)C1.Cl Homo sapiens CHEMBL803752 tissue-based format
CHEMBL542630 OBDepict O O N ClH Ki = 0.51 nM 442.04 Cl.O=C(OCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 Homo sapiens CHEMBL801234 assay format
CHEMBL71049 OBDepict CH 3 N N I Cl Cl Ki = 0.54 nM 427.16 CN(CCc1cc(Cl)c(Cl)cc1I)CCN1CCCC1 Homo sapiens CHEMBL846629 assay format
CHEMBL310240 OBDepict CH 3 N N Cl Cl Ki = 0.55 nM 315.29 CCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL803921 cell membrane format
CHEMBL162807 OBDepict Cl Cl N N Ki = 0.58 nM 335.28 Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl Homo sapiens CHEMBL809519 single protein format
CHEMBL304506 OBDepict O NH N O N Ki = 0.59 nM 495.67 O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCCN1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL810660 tissue-based format
CHEMBL1645202 OBDepict F O N Ki = 0.59 nM 325.43 FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 Homo sapiens CHEMBL1918797 single protein format
CHEMBL4633444 OBDepict H 3 C CH 3 S S N N OH O O OH OH O O OH Ki = 0.6 nM 502.61 CC1(C)SCC(CN2CCN(Cc3ccccc3)CC2)S1.O=C(O)C(=O)O.O=C(O)C(=O)O Homo sapiens CHEMBL4616322 single protein format
CHEMBL62540 OBDepict CH 3 N Ki = 0.6 nM 257.42 CCCCN1CCC2(CCCc3ccccc32)CC1 Homo sapiens CHEMBL839610 single protein format
CHEMBL4646948 OBDepict H 3 C CH 3 O O N OH O O OH Ki = 0.6 nM 379.45 CC1(C)OCC(CN2CCC(Cc3ccccc3)CC2)O1.O=C(O)C(=O)O Homo sapiens CHEMBL4616322 single protein format
CHEMBL3409378 OBDepict H 3 C N N O S Br Ki = 0.6 nM 391.33 CN(CCCn1c(=O)sc2cc(Br)ccc21)Cc1ccccc1 Homo sapiens CHEMBL3412875 cell-based format
CHEMBL274699 OBDepict H 3 C S N O N Ki = 0.6 nM 304.46 CCCc1ccc2c(c1)sc(=O)n2CCN1CCCCC1 Homo sapiens CHEMBL801236 single protein format
CHEMBL542380 OBDepict O O N ClH Ki = 0.61 nM 456.07 Cl.O=C(OCCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 Homo sapiens CHEMBL801234 assay format
CHEMBL75608 OBDepict N N Ki = 0.61 nM 340.56 c1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL802050 cell membrane format
CHEMBL347514 OBDepict CH 3 N CH 3 H N Cl Cl Ki = 0.62 nM 315.29 C[C@@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL846628 cell membrane format
CHEMBL38634 OBDepict N O Ki = 0.62 nM 293.41 c1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1 Homo sapiens CHEMBL802065 assay format
CHEMBL79660 OBDepict Br S HN O O N Ki = 0.63 nM 361.31 O=S(=O)(NCCN1CCCCCC1)c1ccc(Br)cc1 Homo sapiens CHEMBL802057 cell membrane format
CHEMBL537464 OBDepict CH 3 O O O N ClH Ki = 0.65 nM 458.04 COc1ccc(C2(C(=O)OCCCN3CCC(c4ccccc4)CC3)CCCC2)cc1.Cl Homo sapiens CHEMBL801234 assay format
CHEMBL303263 OBDepict NH Ki = 0.66 nM 343.51 c1ccc(CCNCCCCC(c2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL808204 single protein format
CHEMBL318877 OBDepict HO H 3 C CH 3 N Ki = 0.67 nM 307.44 CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 Homo sapiens CHEMBL808205 assay format
CHEMBL143103 OBDepict OH CH 3 H CH 3 H N Ki = 0.67 nM 307.44 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1 Homo sapiens CHEMBL809834 cell membrane format
CHEMBL2347004 OBDepict I N O N Ki = 0.67 nM 378.25 N#Cc1ccc(OCC2CCN(C/C=C/[123I])CC2)cc1 Homo sapiens CHEMBL2352307 assay format
CHEMBL274585 OBDepict I N O N Ki = 0.67 nM 382.24 N#Cc1ccc(OCC2CCN(C/C=C/I)CC2)cc1 Homo sapiens CHEMBL811505 assay format
CHEMBL138083 OBDepict N O Ki = 0.69 nM 293.41 c1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1 Homo sapiens CHEMBL809836 assay format
CHEMBL73964 OBDepict OH N N Ki = 0.69 nM 356.55 Oc1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL802050 cell membrane format
CHEMBL54027 OBDepict CH 3 O N H O Br H N Ki = 0.7 nM 417.35 COc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12 Homo sapiens CHEMBL811340 assay format
CHEMBL177829 OBDepict O NH N O N Ki = 0.7 nM 481.64 O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCN1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL809831 tissue-based format
CHEMBL144741 OBDepict _ O + N O N N Ki = 0.72 nM 353.47 O=[N+]([O-])c1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1 Homo sapiens CHEMBL802052 cell membrane format
CHEMBL143178 OBDepict CH 3 N CH 3 N CH 3 Cl Cl Ki = 0.73 nM 303.28 CCN(CC)CCN(C)CCc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL846628 cell membrane format
CHEMBL277462 OBDepict N Ki = 0.76 nM 217.36 c1ccc(CCCCCN2CCCC2)cc1 Homo sapiens CHEMBL802063 assay format
CHEMBL305218 OBDepict CH 3 N S Ki = 0.8 nM 335.52 CC1CCN(CCC=C2c3ccccc3Sc3ccccc32)CC1 Homo sapiens CHEMBL808204 single protein format
CHEMBL325238 OBDepict N Ki = 0.8 nM 293.45 c1ccc(CCCCN2CCC(c3ccccc3)CC2)cc1 Homo sapiens CHEMBL805615 cell membrane format
CHEMBL369091 OBDepict N N Ki = 0.8 nM 320.48 c1ccc(CN2CCN(CC3CCc4ccccc4C3)CC2)cc1 Homo sapiens CHEMBL829825 single protein format
CHEMBL416730 OBDepict N H Ki = 0.81 nM 259.44 c1ccc(CNCCCCCC2CCCCC2)cc1 Homo sapiens CHEMBL802063 assay format
CHEMBL15023 OBDepict F O N HO F F F Ki = 0.83 nM 409.42 O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL839610 single protein format
CHEMBL422834 OBDepict CH 3 N CH 3 H N Cl Cl Ki = 0.83 nM 315.29 C[C@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL846628 cell membrane format
CHEMBL142596 OBDepict CH 3 N N Cl Ki = 0.84 nM 266.82 CN(CCc1cccc(Cl)c1)CCN1CCCC1 Homo sapiens CHEMBL846628 cell membrane format
CHEMBL312766 OBDepict F N N Cl Cl Ki = 0.86 nM 347.31 FCCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL846629 assay format
CHEMBL543821 OBDepict CH 3 N O Cl ClH Ki = 0.86 nM 290.23 CC1CCN(CCOc2ccc(Cl)cc2)CC1.Cl Homo sapiens CHEMBL808202 cell membrane format
CHEMBL418484 OBDepict N O O Ki = 0.86 nM 271.36 C(/C=C/c1ccc2c(c1)OCO2)=CCN1CCCCC1 Homo sapiens CHEMBL808202 cell membrane format
CHEMBL77405 OBDepict O N H Br N Ki = 0.87 nM 387.32 O=C(Cc1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL802053 cell membrane format
CHEMBL556409 OBDepict I O O N ClH Ki = 0.88 nM 553.91 Cl.O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1 Homo sapiens CHEMBL801234 assay format
CHEMBL71155 OBDepict CH 3 N Ki = 0.89 nM 355.53 CN(CCCC=C(c1ccccc1)c1ccccc1)CCc1ccccc1 Homo sapiens CHEMBL808204 single protein format
CHEMBL193805 OBDepict S N N O H N IC50 = 0.9 nM 329.47 O=C1[C@@H]2Cc3ccccc3CN2C(=S)N1CCN1CCCCC1 Homo sapiens CHEMBL880593 tissue-based format
CHEMBL280160 OBDepict H HN CH 3 Ki = 0.9 nM 281.44 C[C@H](Cc1ccccc1)NCCCCCc1ccccc1 Homo sapiens CHEMBL802063 assay format
CHEMBL112474 OBDepict N Ki = 0.9 nM 307.48 c1ccc(CCCCCN2CCC(c3ccccc3)CC2)cc1 Homo sapiens CHEMBL803927 cell membrane format