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Ligand

NameCHEMBL2042379
Molecular formulaC21H15ClN4O5S
IUPAC name2-[1-(1,3-benzothiazol-2-ylmethyl)-5'-chloro-3-methyl-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
Molecular weight470.884
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.4
SynonymsARRFELTXNOKLHD-UHFFFAOYSA-N
BDBM50385627
SCHEMBL2684726
[1-(1,3-benzothiazol-2-ylmethyl)-5'-chloro-3-methyl-2,2',5-trioxospiro[imidazolidine-4,3'-indol]-1'(2'H)-yl]acetic acid
Inchi KeyARRFELTXNOKLHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H15ClN4O5S/c1-24-20(31)26(9-16-23-13-4-2-3-5-15(13)32-16)19(30)21(24)12-8-11(22)6-7-14(12)25(18(21)29)10-17(27)28/h2-8H,9-10H2,1H3,(H,27,28)
PubChem CID67496758
ChEMBLCHEMBL2042379
IUPHARN/A
BindingDB50385627
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12694Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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