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

NameCHEMBL2337104
Molecular formulaC15H19ClN2O
IUPAC name(3aR,9bS)-8-cyclopropyl-6-methyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one;hydrochloride
Molecular weight278.78
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogPNone
SynonymsSCHEMBL4471775
Inchi KeyACAMYMCETUSQBH-KZCZEQIWSA-N
Inchi IDInChI=1S/C15H18N2O.ClH/c1-8-4-10(9-2-3-9)5-11-12-6-16-7-13(12)17-15(18)14(8)11;/h4-5,9,12-13,16H,2-3,6-7H2,1H3,(H,17,18);1H/t12-,13+;/m1./s1
PubChem CID69056262
ChEMBLCHEMBL2337104
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13615-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
13625-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
13605-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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