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 DMFold 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

NameCHEMBL104999
Molecular formulaC15H13N3O
IUPAC name2-(4-aminophenyl)-7-methyl-1H-1,8-naphthyridin-4-one
Molecular weight251.289
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.2
Synonyms2-(4-Amino-phenyl)-7-methyl-[1,8]naphthyridin-4-ol
BDBM50147875
ZINC13579568
2-(4-aminophenyl)-7-methyl-1,8-naphthyridin-4-ol
Inchi KeyCZXAHGMAYCNGTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H13N3O/c1-9-2-7-12-14(19)8-13(18-15(12)17-9)10-3-5-11(16)6-4-10/h2-8H,16H2,1H3,(H,17,18,19)
PubChem CID11311283
ChEMBLCHEMBL104999
IUPHARN/A
BindingDB50147875
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
54756Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
54758Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
54757Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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