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

NameCHEMBL11879
Molecular formulaC24H29N3
IUPAC name2-(3,3-diphenylpropyl)-5-(2-pyrrolidin-1-ylethyl)-1H-imidazole
Molecular weight359.517
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50409190
2-(3,3-Diphenylpropyl)-4-(2-pyrrolizinoethyl)-1H-imidazole
Inchi KeyHKZSTMPUPMSPLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N3/c1-3-9-20(10-4-1)23(21-11-5-2-6-12-21)13-14-24-25-19-22(26-24)15-18-27-16-7-8-17-27/h1-6,9-12,19,23H,7-8,13-18H2,(H,25,26)
PubChem CID10689833
ChEMBLCHEMBL11879
IUPHARN/A
BindingDB50409190
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
117645Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
117646Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
117647Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486

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