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Ligand

NameCHEMBL286808
Molecular formulaC19H14O5
IUPAC name(2S,3S,4R,5R)-12-oxotetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene-3,4-dicarboxylic acid
Molecular weight322.316
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50284717
7-oxo-(1R,2S)-2,2a,7,11b-tetrahydro-1H-dibenzo[a,e]cyclobuta[c]cycloheptene-1,2-dicarboxylic acid
Inchi KeyBDGPBYUEDIIAAK-GEEKYZPCSA-N
Inchi IDInChI=1S/C19H14O5/c20-17-11-7-3-1-5-9(11)13-14(10-6-2-4-8-12(10)17)16(19(23)24)15(13)18(21)22/h1-8,13-16H,(H,21,22)(H,23,24)/t13-,14+,15-,16+
PubChem CID14041110
ChEMBLCHEMBL286808
IUPHARN/A
BindingDB50284717
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
20905Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
20904Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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