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Ligand

NameCHEMBL92612
Molecular formulaC22H20N4O4
IUPAC name(2S)-2-[(5S)-1-methyl-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-pyrimidin-2-yloxyacetic acid
Molecular weight404.426
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP-0.4
SynonymsBDBM50146668
(S)-((S)-1-Methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl)-(pyrimidin-2-yloxy)-acetic acid
Inchi KeyAJPNEAQSWFQACP-KNQAVFIVSA-N
Inchi IDInChI=1S/C22H20N4O4/c1-26-17-11-6-5-10-16(17)22(25-14-18(26)27,15-8-3-2-4-9-15)19(20(28)29)30-21-23-12-7-13-24-21/h2-13,19,25H,14H2,1H3,(H,28,29)/t19-,22+/m1/s1
PubChem CID11452452
ChEMBLCHEMBL92612
IUPHARN/A
BindingDB50146668
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
7105Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
7104Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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