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