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Ligand

NameCHEMBL3964061
Molecular formulaC11H15N3O7S
IUPAC name(2S)-2-amino-3-[(2-methoxy-5-sulfophenyl)carbamoylamino]propanoic acid
Molecular weight333.315
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP-3.9
SynonymsSCHEMBL14471596
BDBM205520
US9253997, 82
Inchi KeyCCUXLNHYXXNUFQ-ZETCQYMHSA-N
Inchi IDInChI=1S/C11H15N3O7S/c1-21-9-3-2-6(22(18,19)20)4-8(9)14-11(17)13-5-7(12)10(15)16/h2-4,7H,5,12H2,1H3,(H,15,16)(H2,13,14,17)(H,18,19,20)/t7-/m0/s1
PubChem CID71542724
ChEMBLCHEMBL3964061
IUPHARN/A
BindingDB205520
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
536992Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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