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Ligand

NameCHEMBL1793999
Molecular formulaC37H55FN6O7
IUPAC name(2S)-2-[[(2S,3S)-2-[[[3-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]-[(4-fluorophenyl)methyl]carbamoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight714.88
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP2.9
SynonymsBDBM50366374
Inchi KeyJORDGPSSWUCKKY-XTPLGNKUSA-N
Inchi IDInChI=1S/C37H55FN6O7/c1-8-24(4)31(33(46)41-30(34(47)48)20-23(2)3)43-35(49)44(22-25-15-17-26(38)18-16-25)28-13-11-12-27(21-28)40-32(45)29(14-9-10-19-39)42-36(50)51-37(5,6)7/h11-13,15-18,21,23-24,29-31H,8-10,14,19-20,22,39H2,1-7H3,(H,40,45)(H,41,46)(H,42,50)(H,43,49)(H,47,48)/t24-,29-,30-,31-/m0/s1
PubChem CID56681743
ChEMBLCHEMBL1793999
IUPHARN/A
BindingDB50366374
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
156158Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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