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Ligand

NameCHEMBL164914
Molecular formulaC14H14N4O2S
IUPAC name1-benzyl-3-(3-nitroanilino)thiourea
Molecular weight302.352
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.2
Synonymsbenzylamino-3-nitrobenzylhydrazinemethanethione
BDBM50085688
Inchi KeyZPAMATQOPXGWAN-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14N4O2S/c19-18(20)13-8-4-7-12(9-13)16-17-14(21)15-10-11-5-2-1-3-6-11/h1-9,16H,10H2,(H2,15,17,21)
PubChem CID10685766
ChEMBLCHEMBL164914
IUPHARN/A
BindingDB50085688
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
433930B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396

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