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Ligand

NameCHEMBL270853
Molecular formulaC30H34N6OS
IUPAC name2-methyl-7-[4-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]butyl]-5,6,8,9-tetrahydro-1H-pyrrolo[3,4-h][3]benzazepin-3-one
Molecular weight526.703
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50411720
Inchi KeyABOWDNIHZHLENL-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34N6OS/c1-20-9-10-24-25(7-6-8-27(24)31-20)28-32-33-30(35(28)3)38-16-5-4-13-36-14-11-21-17-23-19-34(2)29(37)26(23)18-22(21)12-15-36/h6-10,17-18H,4-5,11-16,19H2,1-3H3
PubChem CID44454400
ChEMBLCHEMBL270853
IUPHARN/A
BindingDB50411720
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1048D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
1046D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
1047Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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