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Ligand

NameMLS003509449
Molecular formulaC38H53N5O4
IUPAC name(5S)-5-benzyl-1-[(2S)-4-methyl-1-[(2S)-2-[[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]pentan-2-yl]-4-(2-phenylethyl)piperazine-2,3-dione
Molecular weight643.873
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.4
SynonymsCHEMBL2355721
SMR002147580
Inchi KeyABDBAGPWPRZDPO-CUPIEXAXSA-N
Inchi IDInChI=1S/C38H53N5O4/c1-27(2)20-32-23-39-35(44)36(45)42(32)25-31-16-11-18-40(31)24-33(21-28(3)4)43-26-34(22-30-14-9-6-10-15-30)41(37(46)38(43)47)19-17-29-12-7-5-8-13-29/h5-10,12-15,27-28,31-34H,11,16-26H2,1-4H3,(H,39,44)/t31-,32-,33-,34-/m0/s1
PubChem CID53300439
ChEMBLCHEMBL2355721
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463037Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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