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Ligand

NameCHEMBL104201
Molecular formulaC20H20N4
IUPAC name2-[[1-(1-benzylpiperidin-4-yl)pyrrol-3-yl]methylidene]propanedinitrile
Molecular weight316.408
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.7
Synonyms2-[1-(1-Benzyl-4-piperidinyl)-1H-pyrrole-3-ylmethylene]malononitrile
2-[1-(1-Benzyl-piperidin-4-yl)-1H-pyrrol-3-ylmethylene]-malononitrile
BDBM50082173
Inchi KeyBUGYAANIQPCORQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20N4/c21-13-19(14-22)12-18-6-11-24(16-18)20-7-9-23(10-8-20)15-17-4-2-1-3-5-17/h1-6,11-12,16,20H,7-10,15H2
PubChem CID44336571
ChEMBLCHEMBL104201
IUPHARN/A
BindingDB50082173
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
33032D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
33034D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
33035D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
33033D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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