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

NameCHEMBL452847
Molecular formulaC18H20ClN5S
IUPAC name6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
Molecular weight373.903
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsVUF-10497
BDBM50412494
J3.528.910K
2-(4-Methyl-1-piperazinyl)-4-(2-thienylmethylamino)-6-chloroquinazoline
Inchi KeyOLJSGKYQYTWQNJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20ClN5S/c1-23-6-8-24(9-7-23)18-21-16-5-4-13(19)11-15(16)17(22-18)20-12-14-3-2-10-25-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22)
PubChem CID25147772
ChEMBLCHEMBL452847
IUPHARN/A
BindingDB50412494
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
244356Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
244357Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
244358Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391

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