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Ligand

NameCHEMBL316247
Molecular formulaC29H25N3O4
IUPAC name2-[3-(naphthalene-1-carbonylamino)-6-oxo-11-propylbenzo[b][1,4]benzodiazepin-5-yl]acetic acid
Molecular weight479.536
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50286236
{8-[(Naphthalene-1-carbonyl)-amino]-11-oxo-5-propyl-5,11-dihydro-dibenzo[b,e][1,4]diazepin-10-yl}-acetic acid
Inchi KeyANAZUOVTIBXIDF-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H25N3O4/c1-2-16-31-24-13-6-5-11-23(24)29(36)32(18-27(33)34)26-17-20(14-15-25(26)31)30-28(35)22-12-7-9-19-8-3-4-10-21(19)22/h3-15,17H,2,16,18H2,1H3,(H,30,35)(H,33,34)
PubChem CID44320537
ChEMBLCHEMBL316247
IUPHARN/A
BindingDB50286236
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9403Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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