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

NameCHEMBL251116
Molecular formulaC32H38N4O3
IUPAC name[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-[4-(6-phenylmethoxypyridin-2-yl)piperazin-1-yl]methanone
Molecular weight526.681
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50423353
Inchi KeyFXCGZOIUXOVRMD-STROYTFGSA-N
Inchi IDInChI=1S/C32H38N4O3/c1-34-21-26(18-25-19-27-24(20-28(25)34)10-6-11-29(27)38-2)32(37)36-16-14-35(15-17-36)30-12-7-13-31(33-30)39-22-23-8-4-3-5-9-23/h3-13,25-26,28H,14-22H2,1-2H3/t25-,26-,28-/m1/s1
PubChem CID44441873
ChEMBLCHEMBL251116
IUPHARN/A
BindingDB50423353
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
89450Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
89451Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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