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

NameCHEMBL398655
Molecular formulaC25H32N4O3
IUPAC name6-[4-[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline-3-carbonyl]piperazin-1-yl]-1H-pyridin-2-one
Molecular weight436.556
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50423332
Inchi KeyBNGQXABJFRJMKO-SFHLNBCPSA-N
Inchi IDInChI=1S/C25H32N4O3/c1-27-16-19(13-18-14-20-17(15-21(18)27)5-3-6-22(20)32-2)25(31)29-11-9-28(10-12-29)23-7-4-8-24(30)26-23/h3-8,18-19,21H,9-16H2,1-2H3,(H,26,30)/t18-,19-,21-/m1/s1
PubChem CID44441874
ChEMBLCHEMBL398655
IUPHARN/A
BindingDB50423332
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28102Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
28101Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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