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 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

NameCHEMBL3655617
Molecular formulaC17H11N5O2
IUPAC name3-cyano-N-(2-pyrimidin-5-yloxypyridin-4-yl)benzamide
Molecular weight317.308
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.5
SynonymsBDBM104753
SCHEMBL12416720
US8569308, 173
Inchi KeyABGOEQBTRNKWDB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H11N5O2/c18-8-12-2-1-3-13(6-12)17(23)22-14-4-5-21-16(7-14)24-15-9-19-11-20-10-15/h1-7,9-11H,(H,21,22,23)
PubChem CID58349128
ChEMBLCHEMBL3655617
IUPHARN/A
BindingDB104753
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
459240Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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