Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1224220
Molecular formulaC16H14ClN3O2
IUPAC name2-[2-(4-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
Molecular weight315.757
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsSCHEMBL1870415
BDBM50325925
2-((4-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrimidin-4(3H)-one
Inchi KeyCKSXJJBTFDAELX-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H14ClN3O2/c17-12-5-3-11(4-6-12)7-9-22-10-14-19-15-13(16(21)20-14)2-1-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21)
PubChem CID135899108
ChEMBLCHEMBL1224220
IUPHARN/A
BindingDB50325925
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
44381Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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