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

NameCHEMBL191391
Molecular formulaC25H31N5O2
IUPAC name1-propan-2-yl-4-propyl-5-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]indole
Molecular weight433.556
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50170320
SCHEMBL1995737
1-Isopropyl-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-1H-indole
Inchi KeyBEYOWLBQYUYGPR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N5O2/c1-4-7-22-21-14-15-30(18(2)3)23(21)12-13-24(22)32-17-6-5-16-31-20-10-8-19(9-11-20)25-26-28-29-27-25/h8-15,18H,4-7,16-17H2,1-3H3,(H,26,27,28,29)
PubChem CID11951989
ChEMBLCHEMBL191391
IUPHARN/A
BindingDB50170320
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22046Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872

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