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

NameCHEMBL1808999
Molecular formulaC25H24N4O2
IUPAC name(6aR,9R)-9-(azetidine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight412.493
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50349641
Inchi KeyGWCRDVWAXLTOOC-VGOFRKELSA-N
Inchi IDInChI=1S/C25H24N4O2/c30-24(28-10-5-11-28)17-12-20-19-8-4-9-21-23(19)16(14-26-21)13-22(20)29(15-17)25(31)27-18-6-2-1-3-7-18/h1-4,6-9,12,14,17,22,26H,5,10-11,13,15H2,(H,27,31)/t17-,22-/m1/s1
PubChem CID11964007
ChEMBLCHEMBL1808999
IUPHARN/A
BindingDB50349641
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
106788C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
106789C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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