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Ligand

Name37539-03-0
Molecular formulaC10H11N5O3S2
IUPAC name(6R,7R)-7-amino-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular weight313.35
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP-3.5
Synonyms(6R,7R)-7-Amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
7-TACA
CTK1C4891
AC1O46OY
FT-0662089
[ Show all ]
Inchi KeyMLOZJRLUNNFSGD-HZGVNTEJSA-N
Inchi IDInChI=1S/C10H11N5O3S2/c11-6-8(16)15-7(10(17)18)4(3-20-9(6)15)2-19-5-1-12-14-13-5/h1,6,9H,2-3,11H2,(H,17,18)(H,12,13,14)/t6-,9-/m1/s1
PubChem CID6400459
ChEMBLN/A
IUPHARN/A
BindingDB81478
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
556300Gamma-aminobutyric acid type B receptor subunit 1Q9Z0U4Gabbr1Rattus norvegicus (Rat)991

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