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Ligand

NameCID 54587035
Molecular formulaC20H25N9O7S2
IUPAC name1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-[3-(1,3-thiazol-2-yl)propyl]guanidine;2,4,6-trinitrophenol
Molecular weight567.596
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyADWCSENCSOLQFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H22N6S2.C6H3N3O7/c1-11-12(20-10-19-11)9-21-7-5-18-14(15)17-4-2-3-13-16-6-8-22-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6,8,10H,2-5,7,9H2,1H3,(H,19,20)(H3,15,17,18);1-2,10H
PubChem CID54587035
ChEMBLCHEMBL1744352
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
3176Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359

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