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Ligand

NameCHEMBL397429
Molecular formulaC28H30N6OS
IUPAC name2-[3-[3-[[5-(1H-indol-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-1,3-oxazole
Molecular weight498.649
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50411388
Inchi KeyANYPUOSSIOCSJC-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N6OS/c1-19-18-29-27(35-19)23-9-8-20-10-13-34(14-11-21(20)16-23)12-5-15-36-28-32-31-26(33(28)2)25-17-22-6-3-4-7-24(22)30-25/h3-4,6-9,16-18,30H,5,10-15H2,1-2H3
PubChem CID135846033
ChEMBLCHEMBL397429
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557567D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
557566D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
557568Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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