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Ligand

NameCHEMBL570064
Molecular formulaC34H47N7O6
IUPAC name(4S)-5-(4-butoxycarbonylpiperazin-1-yl)-5-oxo-4-[[2-phenyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]pentanoic acid
Molecular weight649.793
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP1.1
Synonyms(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(2-phenyl-6-(4-(pyrrolidin-1-yl)piperidin-1-yl)pyrimidine-4-carboxamido)pentanoic acid
BDBM50302630
Inchi KeyBBCGEWDMWBJDLG-MHZLTWQESA-N
Inchi IDInChI=1S/C34H47N7O6/c1-2-3-23-47-34(46)41-21-19-40(20-22-41)33(45)27(11-12-30(42)43)36-32(44)28-24-29(37-31(35-28)25-9-5-4-6-10-25)39-17-13-26(14-18-39)38-15-7-8-16-38/h4-6,9-10,24,26-27H,2-3,7-8,11-23H2,1H3,(H,36,44)(H,42,43)/t27-/m0/s1
PubChem CID45485914
ChEMBLCHEMBL570064
IUPHARN/A
BindingDB50302630
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
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GLASS IDNameUniProtGeneSpeciesLength
19378P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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