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

Namethiothixene
Molecular formulaC23H29N3O2S2
IUPAC name(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
Molecular weight443.624
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsThiothixene hydrochloride
3313-26-6
Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, (E)-
AN-18958
Tiotixenum [INN-Latin]
[ Show all ]
Inchi KeyGFBKORZTTCHDGY-UWVJOHFNSA-N
Inchi IDInChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
PubChem CID941651
ChEMBLCHEMBL1201
IUPHAR212
BindingDB78576
DrugBankDB01623

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 28
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
949005-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5558245-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
949135-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
949155-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
949055-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
949125-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5558235-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
94917Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
555820Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
94908Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
94903Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
460064Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
94904D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
94906D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
94911D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
94909D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
555819D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444
555822D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
94899D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
555821D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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