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Ligand

NameMLS000056239
Molecular formulaC21H22N2O3S
IUPAC nameN-[2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
Molecular weight382.478
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsMolPort-004-077-270
SMR000068045
HMS1729F12
N-[2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethoxy]phenyl]acetamide
SR-01000604192-4
[ Show all ]
Inchi KeyJXHFEOAFQXPYIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O3S/c1-14-11-18(15(2)23(14)12-17-7-6-10-27-17)20(25)13-26-21-9-5-4-8-19(21)22-16(3)24/h4-11H,12-13H2,1-3H3,(H,22,24)
PubChem CID2524461
ChEMBLCHEMBL1320669
IUPHARN/A
BindingDB37016
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
162325Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
162323Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
162324Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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