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Ligand

NameCHEMBL3949209
Molecular formulaC15H20ClN3O7S
IUPAC name3-[(4-amino-5-morpholin-4-yl-5-oxopentanoyl)amino]-5-chloro-2-hydroxybenzenesulfonic acid
Molecular weight421.849
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-3.1
SynonymsBDBM205512
SCHEMBL14791505
US9253997, 58
Inchi KeyDPPAPMQOSKTCJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H20ClN3O7S/c16-9-7-11(14(21)12(8-9)27(23,24)25)18-13(20)2-1-10(17)15(22)19-3-5-26-6-4-19/h7-8,10,21H,1-6,17H2,(H,18,20)(H,23,24,25)
PubChem CID76026313
ChEMBLCHEMBL3949209
IUPHARN/A
BindingDB205512
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
537572Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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