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

NameCHEMBL51985
Molecular formulaC27H41IN2O4
IUPAC name4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-methyl-propylazanium;iodide
Molecular weight584.539
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyKNHLNXSTGUWQNP-UHFFFAOYSA-M
Inchi IDInChI=1S/C27H41N2O4.HI/c1-4-15-29(2,21-17-22-23(32-3)10-9-11-24(22)33-20-21)16-8-7-14-28-25(30)18-27(19-26(28)31)12-5-6-13-27;/h9-11,21H,4-8,12-20H2,1-3H3;1H/q+1;/p-1
PubChem CID10008462
ChEMBLCHEMBL51985
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1733625-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1733615-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1733595-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
173360Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
173364Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
173363D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
173365D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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