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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

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Ligand

NameJNJ-39758979
Molecular formulaC11H19N5
IUPAC name4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
Molecular weight221.308
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP0.7
SynonymsAKOS030628488
ZINC114197058
2-Pyrimidinamine, 4-((3R)-3-amino-1-pyrrolidinyl)-6-(1-methylethyl)-
CHEMBL3236549
KS-0000063V
[ Show all ]
Inchi KeyCOOGVHJHSCBOQT-MRVPVSSYSA-N
Inchi IDInChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
PubChem CID24994634
ChEMBLCHEMBL3236549
IUPHAR8984
BindingDB50006789
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
553465Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
553466Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
46824Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
46822Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
46823Histamine H4 receptorQ91ZY2Hrh4Mus musculus (Mouse)391
46825Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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