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GPCR

Name	Mu-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRM1
Synonym	hMOP M-OR-1 MOP opioid receptor, mu 1 opioid receptor MOPr MOR-1 Mu opiate receptor Mu opioid receptor mu receptor OP3 [ Show all ]
Disease	Diarrhea Inflammatory disease Pain Major depressive disorder Migraine Mild pain Moderate-to-severe acute pain Opioid-induced constipation Opiate dependence Urinary incontinence Movement disorder Obesity Non-small cell lung cancer Systemic pain Headache Analgesia Anesthesia Asthma Cancer pain Chronic pain Constipation Diabetic neuropathy Unspecified Gastrointestinal disease Gastrointestinal disease; Pain General anesthesia Narcotic depression [ Show all ]
Length	400
Amino acid sequence	MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P35372
Protein Data Bank	N/A
GPCR-HGmod model	P35372
3D structure model	This predicted structure model is from GPCR-EXP P35372.
BioLiP	N/A
Therapeutic Target Database	T47768
ChEMBL	CHEMBL233
IUPHAR	319
DrugBank	BE0000770

Ligand

Name	disulfiram
Molecular formula	C10H20N2S4
IUPAC name	diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
Molecular weight	296.524
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.9
Synonyms	Etyl Tuex NCGC00254447-01 SR-01000076145-8 Gababentin Noxal (VAN) TATD HMS2230K06 Perkacit TETD tetraethyl thiuram disulfide HS-0057 Q-201812 Tetraethylthiuram disulfide, >=97.0% (S) KBio2_006626 S00294 THIOCID Lopac-T-1132 SCHEMBL27213 Thiuram disulfide, tetraethyl- MLS001076475 Spectrum4_000228 Tox21_501164 N,N-diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide Ephorran UPCMLD-DP090 NCGC00016000-07 Ethyl Thiurad NCGC00016000-15 97-77-8 CCRIS 582 AB2000216 CPD000059171 Accel TET diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate AN-24463 Disulfiram [USP:INN:BAN:JAN] Antadix Disulfiramo [INN-Spanish] Antetil DSSTox_CID_1322 Antietil Ekagom DTET Averzan (diethylamino){[(diethylamino)thioxomethyl]disulfanyl}methane-1-thione Bis(diethylthiocarbamyl) disulfide 1,1'-Dithiobis(N,N-diethylthioformamide) BRD-K32744045-001-05-6 NCGC00094423-02 Spectrum5_001590 Exhorran Nocbin Stopethyl HMS1920I16 NSC-25953 tet raethylthiuram HMS3393M17 Prestwick0_000097 Tetraethylthiram disulfide I14-53917 Refusal [Netherlands] Tetraethylthiuran disulfide KBioSS_001490 Sanceler TET Thioperoxydicarbonic diamide ((H2N)C(S))2S2, tetraethyl- LS-2031 SPBio_001191 Tillram N,N',N'-Tetraethylthiuram disulfide TTD NCGC00016000-02 Esperal [France] W0030 NCGC00016000-10 Ethyl Tuex BSPBio_001930 AB00051976-20 CHEMBL964 Abstensyl (Argentina) CTK3J1569 AI3-27340 Disulfarim Antabus Disulfiram, Pharmaceutical Secondary Standard; Certified Reference Material Antaethyl Disulfirm Anti-ethyl DTXSID1021322 Antivitium (Spain) BDBM50058655 1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetra Bis(N,N-diethylthiocarbamoyl)disulphide 1,N-diethylthioformamide] ethylthiudad NCGC00094423-06 SR-01000076145-1 Formamide,1'-dithiobis(N,N-diethylthio)- Nocceler TET-G SW196492-4 HMS2091O22 NSC756748 Tetradin Hoca Prestwick3_000097 Tetraethylthiuram disulfide KBio2_001490 Robac TET Teturam KS-000046JU SBI-0051131.P004 Thioperoxydicarbonic diamide, tetraethyl- MLS000069818 Spectrum2_001176 Tox21_300403 N,N,N',N'-Tetraethylthiuram disulphide Ekaland TETD Tuads, ethyl NCGC00016000-05 Ethyl Thiram Z1522553469 NCGC00016000-13 155-01-1 CAS-97-77-8 AB00051976_22 Contralin AC1L1F7H DB00822 Alcophobin Disulfiram (Antabuse) Antabuse (TN) Disulfirame [DCIT] Antetan Disulphuram Antietanol EC 202-607-8 AUZONCFQVSMFAP-UHFFFAOYSA-N Bis(diethylthiocarbamoyl) disulfide 1,1',1'',1'''-{disulfanediylbis[(thioxomethylene)-nitrilo]}tetraethane Bonibal EU-0101164 NCGC00261849-01 STL069539 GTPL7168 NSC 190940 Tenurid HMS3263J09 Perkait TETD Tetraethyldithiuram disulfide HSDB 3317 R531 Tetraethylthiuram disulphide KBio3_001150 s1680 Thioperoxydicarbonic diamide (((H2N)C(S))2S2), N,N,N',N'-tetraethyl- Lopac0_001164 SMR000059171 Thiuram E MLS001423963 TR-030253 NC00063 Espenal UPCMLD-DP090:001 NCGC00016000-08 Ethyl tuads NCGC00016000-18 BRD-K32744045-001-17-1 A845750 CHEBI:4659 Abstenisil Cronetal Accel TET-R Disetil Ancazide ET Disulfiram, British Pharmacopoeia (BP) Reference Standard Antaenyl Disulfiramum Anteyl DSSTox_GSID_21322 Antikol Ekagom TEDS B0479 1,1'',1'''',1''''''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane Bis(diethylthiocarbamyoyl)disulfide 1,1'-Dithiobis[N,N-diethylthioformamide] NCGC00094423-03 Spectrum_001010 Formamide, 1,1'-dithiobis(N,N-diethylthio)- Nocceler Stopety HMS2051M17 NSC-756748 TETD HMS3655I19 Prestwick1_000097 Tetraethylthiram disulphide InChI=1/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H Ro-sulfiram Tetraethylthiurium disulfide Krotenal Sanceler TET-G Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetraethyl- MCULE-1443050857 SPBio_001993 Tox21_110280 N,N,N'',N''-tetraethylthiuram disulfide TTS NCGC00016000-03 Eta bus WLN: 2N2 & YUS & S 2 NCGC00016000-11 Ethyldithiourame C01692 AB00051976-21 CJ-05170 Abstinil D00131 AKOS000120201 Disulfide, bis(diethylthiocarbamoyl) Antabus (TN) Disulfiram, United States Pharmacopeia (USP) Reference Standard Antaetil Disulfram Antiaethan Dupon 4472 ANW-40884 Bis((diethylamino)thioxomethyl) disulfide 1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane bis-(diethyl-thiocarbamyl)-disulfide 1-(diethylthiocarbamoyldisulfanyl)-N,N-diethyl-methanethioamide ethyltuex NCGC00094423-07 SR-01000076145-5 FT-0631502 Noxal T 1132 HMS2095C16 Opera_ID_224 Tetradine Hocakrotenalnci-C02959 Prestwick_182 Tetraethylthiuram disulfide, 97% KBio2_004058 RTR-030253 Teturamin KSC491K6T SC-75356 Thireranide MLS000758264 Spectrum3_000405 Tox21_400072 N,N-diethylcarbamodithioic acid [[diethylamino(sulfanylidene)methyl]thio] ester ENT 27,340 UNII-TR3MLJ1UAI NCGC00016000-06 Ethyl Thiudad ZINC1529266 NCGC00016000-14 CCG-39549 AB00051976_25 Contrapot AC1Q2YXI Dicupral Alk-aubs Disulfiram (JP17/USP/INN) Antabuse;Antabus Disulfiramo Antethyl DL-379 Antiethanol EINECS 202-607-8 Aversan Bis(diethylthiocarbamoyl)disulphide 1,1',1'',1'''-{disulfanediylbis[(thioxomethylene)nitrilo]}tetraethane BPBio1_000060 NCGC00094423-01 Exhoran NCI-C02959 Stopaethyl HMS1568C16 NSC 25953 Tenutex HMS3371B21 Pharmakon1600-01500262 Tetraethylthioperoxydicarbonic diamide HY-B0240 Refusal Tetraethylthiuram sulfide KBioGR_000895 SAM001247028 Thioperoxydicarbonic diamide (((H2N)C(S))2S2), tetraethyl- LP01164 Soxinol TET Thiuranide MolPort-001-792-519 TR3MLJ1UAI NCGC00016000-01 Esperal Usaf B-33 NCGC00016000-09 Ethyl Tuads Rodform BSPBio_000054 AB00051976 Abstensil CS-2209 ACMC-209s92 Disulfan Antab use Disulfiram, European Pharmacopoeia (EP) Reference Standard Antaethan Disulfiramum [INN-Latin] Anthethyl DSSTox_RID_76082 Antivitium Ekagom TETDS BCP07331 1,1''-dithiobis(N,N-diethylthioformamide) Bis(N,N-diethylthiocarbamoyl) disulfide 1,1;-Dithiobis(N,N-diethylthioformamide NCGC00094423-05 SR-01000076145 Formamide, 1,1'-dithiobis(N,N-diethylthio- Nocceler TET Stopetyl HMS2090C18 NSC25953 Tetidis HMS3712C16 Prestwick2_000097 Tetraethylthiuram KB-81054 Ro-Sulfram-500 (USA) Tetraetil KS-000011OS SBB058706 Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetraethyl- MFCD00009048 SPECTRUM1500262 Tox21_110280_1 N,N,N',N'-Tetraethylthiuram disulfide TTS x NCGC00016000-04 Etabus Z-0809 NCGC00016000-12 Ethyldithiurame 11078-22-1 C10H20N2S4 AB00051976-23 CJ-23871 Abstinyl D0X5SD Akrochem TETD Antabuse Disulfirame Antalcol Disulfuram Anticol Dupont fungicide 4472 ARONIS24121 Bis((diethylamino)thioxomethyl)disulphide 1,1',1'',1'''-[dithiobis(carbonothioylnitrilo)]tetraethane Bis[(diethylamino)thioxomethyl] disulfide [ Show all ]
Inchi Key	AUZONCFQVSMFAP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
PubChem CID	3117
ChEMBL	CHEMBL964
IUPHAR	N/A
BindingDB	50058655
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3511.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1425.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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