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Ligand

NameAC1MFBCD
Molecular formulaC20H17Cl2N3O4S
IUPAC namemethyl 4-[3-[N-(2,5-dichlorophenyl)-N'-methylcarbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
Molecular weight466.333
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
SynonymsAKOS001746958
methyl 4-(3-{[[(2,5-dichlorophenyl)imino](methylamino)methyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoate
MolPort-002-168-315
A2029/0085203
MCULE-8775992576
[ Show all ]
Inchi KeyAFXPYHKXSBBVDU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17Cl2N3O4S/c1-23-20(24-15-9-12(21)5-8-14(15)22)30-16-10-17(26)25(18(16)27)13-6-3-11(4-7-13)19(28)29-2/h3-9,16H,10H2,1-2H3,(H,23,24)
PubChem CID2869028
ChEMBLCHEMBL1359792
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4597Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
4596Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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