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Ligand

NameCHEMBL2111528
Molecular formulaC23H26BrN3OS
IUPAC name1-(1-benzylpyrrolidin-3-yl)-N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine
Molecular weight472.445
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50451099
Inchi KeyFYSSSSIVDTYBFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26BrN3OS/c1-28-22-8-7-19(24)11-21(22)23-26-20(16-29-23)13-25-12-18-9-10-27(15-18)14-17-5-3-2-4-6-17/h2-8,11,16,18,25H,9-10,12-15H2,1H3
PubChem CID71454405
ChEMBLCHEMBL2111528
IUPHARN/A
BindingDB50451099
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
90509D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
90511D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
90510D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
90512D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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