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

NameCHEMBL388884
Molecular formulaC23H26BrN5O4
IUPAC name[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(5-bromofuran-2-yl)methanone
Molecular weight516.396
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50411350
Inchi KeyCKDALLRCYSNSRF-JKSUJKDBSA-N
Inchi IDInChI=1S/C23H26BrN5O4/c1-31-18-11-13-14(12-19(18)32-2)26-23(27-21(13)25)29-10-9-28(15-5-3-4-6-16(15)29)22(30)17-7-8-20(24)33-17/h7-8,11-12,15-16H,3-6,9-10H2,1-2H3,(H2,25,26,27)/t15-,16+/m0/s1
PubChem CID44428845
ChEMBLCHEMBL388884
IUPHARN/A
BindingDB50411350
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43922Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
43925Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
43921Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
43924Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
43923Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
43926Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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