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Ligand

NameBDBM50090015
Molecular formulaC27H28F3N5O2
IUPAC name(6S)-N-[3-[4-(2-cyano-4-fluorophenyl)piperidin-1-yl]propyl]-6-(3,4-difluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
Molecular weight511.549
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
Synonyms4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid {3-[4-(2-cyano-4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide
Inchi KeyBGUAAEOBBQFCOR-WUBHUQEYSA-N
Inchi IDInChI=1S/C27H28F3N5O2/c1-16-24(25(34-27(37)33-16)18-3-6-22(29)23(30)14-18)26(36)32-9-2-10-35-11-7-17(8-12-35)21-5-4-20(28)13-19(21)15-31/h3-6,13-14,17,24-25H,2,7-12H2,1H3,(H,32,36)(H,34,37)/t24?,25-/m1/s1
PubChem CID91931388
ChEMBLN/A
IUPHARN/A
BindingDB50090015
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
23423Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
23421Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
23422Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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