Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER C-I-TASSER QUARK C-QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH Threapp BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE TripletRes WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

NameCHEMBL1079799
Molecular formulaC31H42N4O4
IUPAC name6-[4-[2-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-4-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one
Molecular weight534.701
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.6
SynonymsN/A
Inchi KeyBVQMTPGDMYCMMB-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H42N4O4/c1-22(16-23-10-11-27-28(17-23)39-21-38-27)18-33-19-24-6-3-4-7-25(24)26(20-33)31(37)35-14-12-34(13-15-35)29-8-5-9-30(36)32(29)2/h5,8-11,17,22,24-26H,3-4,6-7,12-16,18-21H2,1-2H3
PubChem CID46880735
ChEMBLCHEMBL1079799
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33973Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418

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