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Ligand

Name(2S)-3-{[(3-chloro-4-methyl-5-sulfophenyl)carbamoyl]amino}-2-(methylamino)propanoic acid
Molecular formulaC12H16ClN3O6S
IUPAC name(2S)-3-[(3-chloro-4-methyl-5-sulfophenyl)carbamoylamino]-2-(methylamino)propanoic acid
Molecular weight365.785
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP-2.4
SynonymsAMGLY00095
CHEMBL3974155
SCHEMBL12326513
AHZWXAFRKTVLQM-VIFPVBQESA-N
BDBM205518
[ Show all ]
Inchi KeyAHZWXAFRKTVLQM-VIFPVBQESA-N
Inchi IDInChI=1S/C12H16ClN3O6S/c1-6-8(13)3-7(4-10(6)23(20,21)22)16-12(19)15-5-9(14-2)11(17)18/h3-4,9,14H,5H2,1-2H3,(H,17,18)(H2,15,16,19)(H,20,21,22)/t9-/m0/s1
PubChem CID86679037
ChEMBLCHEMBL3974155
IUPHARN/A
BindingDB205518
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
536091Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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