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

NameCHEMBL1809003
Molecular formulaC27H26N4O2
IUPAC name(6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight438.531
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50349644
Inchi KeyHRNWSAWUOFZVFE-NTKDMRAZSA-N
Inchi IDInChI=1S/C27H26N4O2/c32-26(30-12-5-2-6-13-30)19-14-22-21-10-7-11-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29-20-8-3-1-4-9-20/h1,3-5,7-12,14,16,19,24,28H,2,6,13,15,17H2,(H,29,33)/t19-,24-/m1/s1
PubChem CID56680570
ChEMBLCHEMBL1809003
IUPHARN/A
BindingDB50349644
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
122235C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
122236C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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