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Ligand

NameCHEMBL60143
Molecular formulaC31H41N3O5
IUPAC nametert-butyl N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
Molecular weight535.685
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50220457
Inchi KeyALQYYBXQKWSMNS-HHHXNRCGSA-N
Inchi IDInChI=1S/C31H41N3O5/c1-31(2,3)39-30(37)32-27(22-23-8-5-4-6-9-23)29(36)34-19-17-33(18-20-34)16-7-21-38-26-14-12-25(13-15-26)28(35)24-10-11-24/h4-6,8-9,12-15,24,27H,7,10-11,16-22H2,1-3H3,(H,32,37)/t27-/m1/s1
PubChem CID44304327
ChEMBLCHEMBL60143
IUPHARN/A
BindingDB50220457
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8521Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
8523Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
8522Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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