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Ligand

NameCHEMBL1794002
Molecular formulaC38H57N5O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2R)-2-[3-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight711.901
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP3.0
SynonymsBDBM50366375
Inchi KeyBGPZOYLRSPYCKJ-LREDJQJJSA-N
Inchi IDInChI=1S/C38H57N5O8/c1-8-24(4)32(35(47)41-31(36(48)49)20-23(2)3)43-33(45)29(21-25-15-17-28(44)18-16-25)26-12-11-13-27(22-26)40-34(46)30(14-9-10-19-39)42-37(50)51-38(5,6)7/h11-13,15-18,22-24,29-32,44H,8-10,14,19-21,39H2,1-7H3,(H,40,46)(H,41,47)(H,42,50)(H,43,45)(H,48,49)/t24-,29+,30-,31-,32-/m0/s1
PubChem CID56661317
ChEMBLCHEMBL1794002
IUPHARN/A
BindingDB50366375
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
23300Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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