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Ligand

NameCHEMBL3895461
Molecular formulaC11H14ClN3O5S2
IUPAC name(2S)-2-amino-3-[(3-chloro-2-methyl-5-sulfophenyl)carbamothioylamino]propanoic acid
Molecular weight367.819
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP-2.3
SynonymsSCHEMBL14471586
BDBM205511
US9253997, 47
Inchi KeyBMDDBSBTYSNYKK-QMMMGPOBSA-N
Inchi IDInChI=1S/C11H14ClN3O5S2/c1-5-7(12)2-6(22(18,19)20)3-9(5)15-11(21)14-4-8(13)10(16)17/h2-3,8H,4,13H2,1H3,(H,16,17)(H2,14,15,21)(H,18,19,20)/t8-/m0/s1
PubChem CID89346558
ChEMBLCHEMBL3895461
IUPHARN/A
BindingDB205511
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
536692Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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