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Ligand

NameCHEMBL1790473
Molecular formulaC34H54N6O8
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight674.84
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP-1.5
SynonymsBDBM50366306
Inchi KeyDPDHQUUIOPQTPO-BYNCPHGUSA-N
Inchi IDInChI=1S/C34H54N6O8/c1-6-21(4)29(32(45)38-27(34(47)48)18-20(2)3)39-30(43)26(19-23-12-14-24(42)15-13-23)37-31(44)28-11-9-17-40(28)33(46)25(36-22(5)41)10-7-8-16-35/h12-15,20-21,25-29,42H,6-11,16-19,35H2,1-5H3,(H,36,41)(H,37,44)(H,38,45)(H,39,43)(H,47,48)/t21-,25+,26+,27+,28+,29+/m1/s1
PubChem CID56682774
ChEMBLCHEMBL1790473
IUPHARN/A
BindingDB50366306
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
65553Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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