Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL2177253
Molecular formulaC23H26O3
IUPAC name5-methoxy-3-[(2-methylphenyl)methyl]-7-pentylchromen-2-one
Molecular weight350.458
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.6
SynonymsBDBM50398233
Inchi KeyMZCPYJQKQLUBAD-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26O3/c1-4-5-6-10-17-12-21(25-3)20-15-19(23(24)26-22(20)13-17)14-18-11-8-7-9-16(18)2/h7-9,11-13,15H,4-6,10,14H2,1-3H3
PubChem CID70677807
ChEMBLCHEMBL2177253
IUPHARN/A
BindingDB50398233
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
217732Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
217729Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
217730G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
217731N-arachidonyl glycine receptorQ14330GPR18Homo sapiens (Human)331

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