Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL251335
Molecular formulaC24H30N4O
IUPAC name[(3R,4aR,10aR)-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
Molecular weight390.531
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50423305
Inchi KeyAGOCNFSXCAGJEC-BHDDXSALSA-N
Inchi IDInChI=1S/C24H30N4O/c1-26-17-21(15-20-14-18-6-2-3-7-19(18)16-22(20)26)24(29)28-12-10-27(11-13-28)23-8-4-5-9-25-23/h2-9,20-22H,10-17H2,1H3/t20-,21+,22+/m0/s1
PubChem CID44441660
ChEMBLCHEMBL251335
IUPHARN/A
BindingDB50423305
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
5068Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
5067Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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