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

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

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3216028
Molecular formulaC23H30Cl4N4
IUPAC nameN'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-7-methylquinazolin-4-yl]hexane-1,6-diamine;trihydrochloride
Molecular weight504.321
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyALTIKHQKBBFIKS-HUDQUHEVSA-N
Inchi IDInChI=1S/C23H27ClN4.3ClH/c1-17-6-12-20-21(16-17)27-22(13-9-18-7-10-19(24)11-8-18)28-23(20)26-15-5-3-2-4-14-25;;;/h6-13,16H,2-5,14-15,25H2,1H3,(H,26,27,28);3*1H/b13-9+;;;
PubChem CID90664561
ChEMBLCHEMBL3216028
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8565Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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