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

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

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

You can:

Ligand

NameCHEMBL319971
Molecular formulaC17H14ClN5O2
IUPAC nameN-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]butanamide
Molecular weight355.782
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
SynonymsSCHEMBL8111292
BDBM50053930
N-[2-(2-Furyl)-9-chloro[1,2,4]triazolo[1,5-c]quinazolin-5-yl]butanamide
N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-butyramide
Inchi KeyABTWJNSIYNEABB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H14ClN5O2/c1-2-4-14(24)20-17-19-12-7-6-10(18)9-11(12)16-21-15(22-23(16)17)13-5-3-8-25-13/h3,5-9H,2,4H2,1H3,(H,19,20,24)
PubChem CID10594397
ChEMBLCHEMBL319971
IUPHARN/A
BindingDB50053930
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1174Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
1176Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
1175Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
1177Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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