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

NameCHEMBL94538
Molecular formulaC15H14N4
IUPAC name(7-methyl-2-phenyl-1,8-naphthyridin-4-yl)hydrazine
Molecular weight250.305
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
Synonyms(7-Methyl-2-phenyl-[1,8]naphthyridin-4-yl)-hydrazine
BDBM50090698
1-(7-methyl-2-phenyl-1,8-naphthyridin-4-yl)hydrazine
Inchi KeyCWTSAOIACWWXPW-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H14N4/c1-10-7-8-12-14(19-16)9-13(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,16H2,1H3,(H,17,18,19)
PubChem CID44327984
ChEMBLCHEMBL94538
IUPHARN/A
BindingDB50090698
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
52423Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
52426Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
52424Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
52425Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417