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

NameCHEMBL3646994
Molecular formulaC29H34N4
IUPAC name4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
Molecular weight438.619
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.8
SynonymsSCHEMBL14663059
BDBM134562
US8846656, 41-G
Inchi KeyAHVSJFJUIINJCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H34N4/c1-17(2)21-8-7-19(5)28(14-21)33-12-11-25-24(16-33)20(6)13-27(31-25)29-22(18(3)4)9-10-26-23(29)15-30-32-26/h7-10,13-15,17-18H,11-12,16H2,1-6H3,(H,30,32)
PubChem CID71240608
ChEMBLCHEMBL3646994
IUPHARN/A
BindingDB134562
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5921C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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