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

NameCHEMBL1203228
Molecular formulaC62H89ClN14O6
IUPAC name[2-[[6-[6-[6-[[2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]phenyl]-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone;hydrochloride
Molecular weight1161.94
Hydrogen bond acceptor18
Hydrogen bond donor7
XlogPNone
SynonymsN/A
Inchi KeyFSPJHGIIYAKTOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C62H88N14O6.ClH/c1-79-53-39-49-51(41-55(53)81-3)69-61(71-57(49)63)75-35-31-73(32-36-75)59(77)47-23-13-11-21-45(47)43-67-29-19-9-7-17-27-65-25-15-5-6-16-26-66-28-18-8-10-20-30-68-44-46-22-12-14-24-48(46)60(78)74-33-37-76(38-34-74)62-70-52-42-56(82-4)54(80-2)40-50(52)58(64)72-62;/h11-14,21-24,39-42,65-68H,5-10,15-20,25-38,43-44H2,1-4H3,(H2,63,69,71)(H2,64,70,72);1H
PubChem CID49860764
ChEMBLCHEMBL1203228
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
86280Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
86281Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
86279Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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