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Ligand

NameCHEMBL568334
Molecular formulaC30H31N5O4S
IUPAC name(2S,4S)-1-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
Molecular weight557.669
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50302452
(2S,4S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
Inchi KeyBUKQVIJBXGVITH-DHLKQENFSA-N
Inchi IDInChI=1S/C30H31N5O4S/c1-2-23-17-24-26(31-30(32-27(24)40-23)35-18-22(36)16-25(35)29(38)39)33-12-14-34(15-13-33)28(37)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17,22,25,36H,2,12-16,18H2,1H3,(H,38,39)/t22-,25-/m0/s1
PubChem CID44610759
ChEMBLCHEMBL568334
IUPHARN/A
BindingDB50302452
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33140P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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