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Ligand

NameCHEMBL2172154
Molecular formulaC34H45N7O9
IUPAC name(4S)-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-[(3R)-4-ethoxycarbonyl-3-methylpiperazin-1-yl]-5-oxopentanoic acid
Molecular weight695.774
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP2.0
Synonyms(R)-4-[(S)-4-Carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-2-methyl-piperazine-1-carboxylic acid ethyl ester
BDBM50397160
SCHEMBL956512
ASSNEGLNYGDZRV-PWMMPXSUSA-N
Inchi KeyASSNEGLNYGDZRV-PWMMPXSUSA-N
Inchi IDInChI=1S/C34H45N7O9/c1-3-49-34(48)39-18-17-38(20-22(39)2)33(47)25(14-15-30(43)44)36-31(45)26-19-29(41(37-26)24-11-5-4-6-12-24)50-21-28(42)40-16-8-13-27(40)32(46)35-23-9-7-10-23/h4-6,11-12,19,22-23,25,27H,3,7-10,13-18,20-21H2,1-2H3,(H,35,46)(H,36,45)(H,43,44)/t22-,25+,27+/m1/s1
PubChem CID66856658
ChEMBLCHEMBL2172154
IUPHARN/A
BindingDB50397160
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
13485P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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