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

NameCHEMBL2205833
Molecular formulaC17H18N2O
IUPAC name5-(pyridin-3-ylmethyl)-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
Molecular weight266.344
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.3
SynonymsBDBM50401364
Inchi KeyDCGVCGVBZDMLGR-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18N2O/c20-17-14-9-4-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-2-1-3-18-5-7/h1-3,5,8-16,20H,4,6H2
PubChem CID71461344
ChEMBLCHEMBL2205833
IUPHARN/A
BindingDB50401364
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 36
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
563215-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
563205-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
563405-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
563265-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
563275-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
563335-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
563385-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
563325-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
563155-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
563435-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
56348Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
56313Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
56339Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
56323Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
56318Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
56322Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
56317Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
56346Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
56334Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
56319D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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