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

NameCHEMBL2069490
Molecular formulaC19H17FN4O2
IUPAC name(2S)-2-amino-3-(4-fluorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
Molecular weight352.369
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.9
SynonymsBDBM50390585
Inchi KeyUUAYFFUZWPWLFP-INIZCTEOSA-N
Inchi IDInChI=1S/C19H17FN4O2/c20-15-3-1-12(2-4-15)9-16(21)18(25)24-17-10-14(11-23-19(17)26)13-5-7-22-8-6-13/h1-8,10-11,16H,9,21H2,(H,23,26)(H,24,25)/t16-/m0/s1
PubChem CID70682465
ChEMBLCHEMBL2069490
IUPHARN/A
BindingDB50390585
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
345635Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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