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

NameCHEMBL1771448
Molecular formulaC32H34N4O
IUPAC nameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
Molecular weight490.651
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.6
SynonymsN/A
Inchi KeyZHZSUEYGBKFGMM-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H34N4O/c1-5-23-10-8-11-26(19-23)33-32(37)36-18-17-29-28(20-36)30(27-12-7-6-9-22(27)4)35-31(34-29)25-15-13-24(14-16-25)21(2)3/h6-16,19,21H,5,17-18,20H2,1-4H3,(H,33,37)
PubChem CID54585478
ChEMBLCHEMBL1771448
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
429010P2Y purinoceptor 14Q9ESG6P2ry14Mus musculus (Mouse)338

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