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

NameSCHEMBL1074387
Molecular formulaC24H19FN2O2
IUPAC name1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
Molecular weight386.426
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.9
SynonymsC200-3960
CHEMBL1453340
MolPort-007-597-012
CCG-63490
HMS1815A13
[ Show all ]
Inchi KeyAKOVPCMXOGCSFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19FN2O2/c1-15-3-8-18(9-4-15)22(28)21-14-27(13-17-6-10-19(25)11-7-17)24-20(23(21)29)12-5-16(2)26-24/h3-12,14H,13H2,1-2H3
PubChem CID15988482
ChEMBLCHEMBL1453340
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7747Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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