Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

Namedisulfiram
Molecular formulaC10H20N2S4
IUPAC namediethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
Molecular weight296.524
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.9
SynonymsNCGC00016000-04
Etabus
NCGC00016000-12
Ethyldithiurame
NCGC00094423-05
[ Show all ]
Inchi KeyAUZONCFQVSMFAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
PubChem CID3117
ChEMBLCHEMBL964
IUPHARN/A
BindingDB50058655
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 22
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
150915-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
150985-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
150935-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
442237Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
15099Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
15089Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
15100Apelin receptorP35414APLNRHomo sapiens (Human)380
15105Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
15088C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
15102C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
15095C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
15090C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
15086D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
15087D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
15097D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
15101D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
15103Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
15092Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
15106Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
15094Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218