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Ligand

NameMLS002180522
Molecular formulaC19H21ClN2O4S
IUPAC name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
Molecular weight408.897
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsCHEMBL1512634
MolPort-006-025-175
HMS3068H05
AKOS002436724
AKOS016846435
[ Show all ]
Inchi KeyBFTJPLMVCCCXAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21ClN2O4S/c1-12-5-4-8-22(10-12)15(23)11-26-16(24)9-21-19(25)18-17(20)13-6-2-3-7-14(13)27-18/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,25)
PubChem CID16496658
ChEMBLCHEMBL1512634
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22621Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
22620Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
22622Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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