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 DMFold 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

NameCHEMBL558226
Molecular formulaC16H21Cl2N3O2
IUPAC name4-amino-N-(1-azatricyclo[3.3.1.03,7]nonan-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride
Molecular weight358.263
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogPNone
SynonymsSCHEMBL7375701
Inchi KeyDHGXYMAJZPNYQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20ClN3O2.ClH/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15;/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21);1H
PubChem CID9885122
ChEMBLCHEMBL558226
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
599875-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406
59985Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
59988Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
59986D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
59983D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
59984Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
59989Substance-P receptorP25103TACR1Homo sapiens (Human)407

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