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Ligand

NameCHEMBL569913
Molecular formulaC32H43N5O6S
IUPAC name(4S)-4-[(6-cyclohexylsulfanyl-2-phenylpyrimidine-4-carbonyl)amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight625.785
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.0
Synonyms(S)-4-(6-(cyclohexylthio)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
BDBM50302679
Inchi KeyBTDKNKMHPMAUTP-VWLOTQADSA-N
Inchi IDInChI=1S/C32H43N5O6S/c1-2-3-10-21-43-32(42)37-19-17-36(18-20-37)31(41)25(15-16-28(38)39)34-30(40)26-22-27(44-24-13-8-5-9-14-24)35-29(33-26)23-11-6-4-7-12-23/h4,6-7,11-12,22,24-25H,2-3,5,8-10,13-21H2,1H3,(H,34,40)(H,38,39)/t25-/m0/s1
PubChem CID45485883
ChEMBLCHEMBL569913
IUPHARN/A
BindingDB50302679
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
32240P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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