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Ligand

NameCHEMBL3980928
Molecular formulaC10H12ClN3O7S
IUPAC name(2S)-2-amino-3-[(5-chloro-2-hydroxy-3-sulfophenyl)carbamoylamino]propanoic acid
Molecular weight353.73
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP-3.1
Synonyms(2S)-2-amino-3-{[(5-chloro-2-hydroxy-3-sulfophenyl)carbamoyl]amino}propanoic acid
BDBM205500
BDPDCRHPZJCOEU-YFKPBYRVSA-N
SCHEMBL14471609
US9253997, 6
Inchi KeyBDPDCRHPZJCOEU-YFKPBYRVSA-N
Inchi IDInChI=1S/C10H12ClN3O7S/c11-4-1-6(8(15)7(2-4)22(19,20)21)14-10(18)13-3-5(12)9(16)17/h1-2,5,15H,3,12H2,(H,16,17)(H2,13,14,18)(H,19,20,21)/t5-/m0/s1
PubChem CID53377991
ChEMBLCHEMBL3980928
IUPHARN/A
BindingDB205500
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
536511Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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