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

Name1-Benzyl-1,2,3,6-tetrahydro-pyridine-4-carboxylic acid ethyl ester
Molecular formulaC15H20ClNO2
IUPAC nameethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride
Molecular weight281.78
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogPNone
SynonymsMLS001207741
CHEMBL1304971
MolPort-002-192-952
AC1MFFHK
Ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate Hydrochloride
[ Show all ]
Inchi KeyFGCZOXGJFCPSAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H19NO2.ClH/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13;/h3-8H,2,9-12H2,1H3;1H
PubChem CID2893620
ChEMBLCHEMBL1304971
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
776785-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
77677Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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