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

NameCHEMBL83658
Molecular formulaC19H22N2O
IUPAC nameN,N-dimethyl-1-(3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl)methanamine
Molecular weight294.398
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsSCHEMBL7858913
L001668
N,N-Dimethyl-2,3,3a,8-tetrahydro-1-oxa-12b-azadibenzo[e,h]azulene-2-methanamine
Inchi KeyBTSCZNWXJQSJIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3
PubChem CID9904205
ChEMBLCHEMBL83658
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
326545-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
326485-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
326435-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
326465-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
326525-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
32647Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
32644Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
32653Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
32655Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
32650D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
32656D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
32649D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
32645D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
32651Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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