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

NameCHEMBL274262
Molecular formulaC15H19N3O2
IUPAC name3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate
Molecular weight273.336
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.4
SynonymsSCHEMBL7977081
BDBM50051204
Phenethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
2-Phenylethylcarbamic acid 3-(1H-imidazol-4-yl)propyl ester
Inchi KeyJPPOAAHOXATZTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H19N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h1-3,5-6,11-12H,4,7-10H2,(H,16,18)(H,17,19)
PubChem CID10612308
ChEMBLCHEMBL274262
IUPHARN/A
BindingDB50051204
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
156740Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
156739Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
156738Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445
156741Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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