Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameDothiepin
Molecular formulaC19H21NS
IUPAC name3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Molecular weight295.444
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.5
Synonyms113-53-1
AC1L1FAN
Prestwick0_000488
Prestwick1_000488
Oprea1_493999
[ Show all ]
Inchi KeyPHTUQLWOUWZIMZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
PubChem CID3155
ChEMBLN/A
IUPHARN/A
BindingDB82548
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2600925-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
5564885-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
260098Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
260099Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
260094Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
260097Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
260096Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
260100Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
260095Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
260093Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
260101Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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