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

NameCHEMBL295646
Molecular formulaC26H30N2O3
IUPAC name2-[4-[(8-butyl-10-oxo-7,9-diazaspiro[4.5]dec-7-en-9-yl)methyl]phenyl]benzoic acid
Molecular weight418.537
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
Synonyms4''-(8-Butyl-6-oxo-7,9-diaza-spiro[4.5]dec-8-en-7-ylmethyl)-biphenyl-2-carboxylic acid
BDBM50282258
Inchi KeyCRBWYWQPJSJHQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N2O3/c1-2-3-10-23-27-18-26(15-6-7-16-26)25(31)28(23)17-19-11-13-20(14-12-19)21-8-4-5-9-22(21)24(29)30/h4-5,8-9,11-14H,2-3,6-7,10,15-18H2,1H3,(H,29,30)
PubChem CID44289028
ChEMBLCHEMBL295646
IUPHARN/A
BindingDB50282258
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
48664Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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