Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46360 | Target Info | |||
| Target Name | Opioid receptor sigma 1 (OPRS1) | ||||
| Synonyms |
hSigmaR1; Sigma1R; Sigma1-receptor; Sigma non-opioid intracellular receptor 1; Sigma 1-type opioid receptor; SRBP; SR31747-binding protein; SR31747 binding protein 1; SR-BP; SIG-1R; Opioid receptor, sigma 1, isoform 1; OPRS1 protein; Aging-associated gene 8 protein; AAG8
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| Target Type | Successful Target | ||||
| Gene Name | SIGMAR1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 13 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Morphine
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Approved | Compound Info | ||
| Synonyms |
Avinza; Kadian; Morphine Sulfate; Depodur; Astramorph Pf; Duramorph Pf; Infumorph; Ms Contin; Oramorph Sr
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
N-[(1S,2S,4R)-2-Bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391372; BDBM50435326
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| Activity |
IC50 = 86800 nM
|
[2] | |||
| Compound Name |
N-Cyclohexyl-2-(4-propanoylpiperazin-1-yl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391367; SCHEMBL975152; BDBM50435331; AKOS032990511
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Jervine
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Investigative | Compound Info | ||
| Synonyms |
Iervin; 11-Ketocyclopamine; UNII-19V3ECX465; C27H39NO3; Jerwiny [Polish]; CHEMBL186779; 19V3ECX465; NSC23898; MFCD01684066; HSDB 3502; Jerwiny; NSC7520; NSC 7520; EINECS 207-417-9; BRN 0059109; NSC-7520; Veratraman-11-one,23-epoxy-3-hydroxy-, (3.beta.,23.beta.)-; WLN: L D6 B566 CV FX DU LUTJ A1 E1 OQ F-& CT56 BOX FMTJ D1 H1; Jervin-11-one; Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3beta,23beta)-; (3beta, 23beta)-17,23-Epoxy-3-hydroxyveratraman-11-one; 17,23beta-Epoxy-3beta-hydroxyveratraman-11-one; SCHEMBL61568; 4-27-00-03590 (Beilstein Handbook Reference); DTXSID70895026; HY-N0836; ZINC4098876; BDBM50170645; Jervine, >=98% (HPLC), powder; NSC-23898; s4747; Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3-beta,23-beta)-; AKOS025405251; CCG-208226; BS-17082; 17,23-Epoxy-3-hydroxyveratraman-11-one; J0009; X0086; C10811; Q3278036; (3beta,23beta)-17,23-Epoxy-3-hydroxyveratraman-11-one; UNII-4I27BB349X component CLEXYFLHGFJONT-DNMILWOZSA-N; UNII-QVO4N8484O component CLEXYFLHGFJONT-DNMILWOZSA-N; Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3-beta,23-beta)- (9CI); Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3beta,23beta)- (9CI)
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| Activity |
Ki ~ 100000 nM
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[3] | |||
| Compound Name |
N,N'-Dimethyl guanidine hydrogen bromide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL545471; SCHEMBL7666619
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
N-Pentan-3-yl-2-(4-propanoylpiperazin-1-yl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391366; SCHEMBL974224; BDBM50435332
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
N-Cyclopentyl-N-methyl-2-(piperazin-1-yl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391540; BDBM50435330
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
n,n-Diphenylguanidine
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Investigative | Compound Info | ||
| Synonyms |
1,1-diphenylguanidine; Guanidine, N,N-diphenyl-; UNII-CL047JBJ5Q; N,N-Diphenyl-guanidine; CL047JBJ5Q; CHEMBL79616; diphenylguanidin; Guanidine, diphenyl-; 1,1-Di(phenyl)guanidine; ACMC-1CIJ0; SCHEMBL36862; CTK1A5527; DTXSID70174126; ADAL1043435; ZINC4018857; BDBM50010737; Q27275513
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
(3S,3'R,3'As,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',7'a,10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,4,5,6,7-hexahydrofuro[3,2-b]pyridine]-3-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL366154; BDBM50170649
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| Activity |
Ki ~ 100000 nM
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[3] | |||
| Compound Name |
N-Isopropyl-1-piperazineacetamide
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Investigative | Compound Info | ||
| Synonyms |
n-isopropyl-2-(piperazin-1-yl)acetamide; N-isopropyl-2-piperazin-1-ylacetamide; 2-piperazin-1-yl-N-propan-2-ylacetamide; 2-(piperazin-1-yl)-N-(propan-2-yl)acetamide; CHEMBL2391356; 1-Piperazineacetamide, N-(1-methylethyl)-; N-(methylethyl)-2-piperazinylacetamide; EINECS 254-676-9; NSC379438; SCHEMBL255190; CTK4I2048; KS-00003TBM; DTXSID10192925; N-isopropyl-2-piperazinoacetamide; 2-piperazinyl-N-isopropylacetamide; N-isopropyl-1-piperazine acetamide; piperazinoacetic acid isopropylamide; ALBB-006203; 2503AE; BDBM50435342; MFCD00005969; SBB027314; STK501255; ZINC19942920; AKOS000264275; MCULE-4117297184; NSC-379438; VP70271; N-Isopropyl-1-piperazineacetamide, 95%; TS-02582; 1-Piperazineacetamide,N-(1-methylethyl)-; N-Isopropyl-2-(1-piperazinyl)acetamide #; DB-049493; BB 0259628; FT-0639584; ST45024241; EN300-18601; W-6183
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
N-(2-Methylbutyl)-2-(4-propanoylpiperazin-1-yl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391360; SCHEMBL978988; BDBM50435338
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
N-Cyclopentyl-2-(4-propanoylpiperazin-1-yl)propanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391377; SCHEMBL975191; BDBM50435321
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
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Compound Info | |||
| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
5-(1,2-Dithiolan-3-YL)-1-(4-phenylpiperazin-1-YL)pentan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2324615; BDBM50427875; STL539648; AKOS032445131; MCULE-9006315901
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| Activity |
Ki = 1700000 nM
|
[5] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Synthesis and opioid activity of 7-oxygenated 2,3,4,4a,5,6,7,7a-octahydro-1H-benzofuro[3,2-e]isoquinolin-9-ols. J Med Chem. 1994 Sep 16;37(19):3121-7. | ||||
| REF 2 | Synthesis and biological evaluation of Esaprazole analogues showing 1 binding and neuroprotective properties in vitro. Bioorg Med Chem. 2013 Jun 1;21(11):3334-47. | ||||
| REF 3 | Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening. J Med Chem. 2005 Jul 28;48(15):4754-64. | ||||
| REF 4 | Synthesis and structure-activity relationships of N,N'-di-o-tolylguanidine analogues, high-affinity ligands for the haloperidol-sensitive sigma receptor. J Med Chem. 1990 Sep;33(9):2421-9. | ||||
| REF 5 | Design and synthesis of new bifunctional sigma-1 selective ligands with antioxidant activity. J Med Chem. 2013 Mar 28;56(6):2447-55. | ||||
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