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 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

NameCHEMBL3609142
Molecular formulaC31H35NO4
IUPAC name19-hexoxy-18-methoxy-13-methyl-15-phenyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
Molecular weight485.624
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP7.0
SynonymsBDBM50114923
Inchi KeyFESBEMCDUCWSRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35NO4/c1-4-5-6-10-13-34-31-28(33-3)17-23-24(20-11-8-7-9-12-20)18-32(2)25-14-21-15-26-27(36-19-35-26)16-22(21)30(31)29(23)25/h7-9,11-12,15-17,24-25H,4-6,10,13-14,18-19H2,1-3H3
PubChem CID122187377
ChEMBLCHEMBL3609142
IUPHARN/A
BindingDB50114923
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4723435-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4723395-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
4723365-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
4723385-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
4723375-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4723405-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
4723425-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
4723415-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
4723445-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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