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

NameCHEMBL1223819
Molecular formulaC8H4F3N3O
IUPAC name2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
Molecular weight215.135
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.1
SynonymsBDBM50325899
2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-one
Inchi KeyRNYZPQSAGWZVGM-UHFFFAOYSA-N
Inchi IDInChI=1S/C8H4F3N3O/c9-8(10,11)7-13-5-4(6(15)14-7)2-1-3-12-5/h1-3H,(H,12,13,14,15)
PubChem CID136127010
ChEMBLCHEMBL1223819
IUPHARN/A
BindingDB50325899
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
300962Hydroxycarboxylic acid receptor 2Q80Z39Hcar2Rattus norvegicus (Rat)360
300964Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363
300963Hydroxycarboxylic acid receptor 3P49019HCAR3Homo sapiens (Human)387

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