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

NameCHEMBL2181545
Molecular formulaC28H34O4
IUPAC name7-(1-butylcyclohexyl)-5-methoxy-3-[(2-methoxyphenyl)methyl]chromen-2-one
Molecular weight434.576
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP8.5
SynonymsBDBM50434881
Inchi KeyHFQQAEKLEDHEFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34O4/c1-4-5-13-28(14-9-6-10-15-28)22-18-25(31-3)23-17-21(27(29)32-26(23)19-22)16-20-11-7-8-12-24(20)30-2/h7-8,11-12,17-19H,4-6,9-10,13-16H2,1-3H3
PubChem CID70678239
ChEMBLCHEMBL2181545
IUPHARN/A
BindingDB50434881
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
113675Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
113674Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
113676G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
113677N-arachidonyl glycine receptorQ14330GPR18Homo sapiens (Human)331

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