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Ligand

NameCHEMBL1794000
Molecular formulaC37H55FN6O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[[3-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-2-fluorophenyl]-[(4-hydroxyphenyl)methyl]carbamoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight730.879
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP2.5
SynonymsBDBM50366373
Inchi KeyBGIYDMZGLBZGIU-RONPGKLQSA-N
Inchi IDInChI=1S/C37H55FN6O8/c1-8-23(4)31(33(47)41-28(34(48)49)20-22(2)3)43-35(50)44(21-24-15-17-25(45)18-16-24)29-14-11-13-26(30(29)38)40-32(46)27(12-9-10-19-39)42-36(51)52-37(5,6)7/h11,13-18,22-23,27-28,31,45H,8-10,12,19-21,39H2,1-7H3,(H,40,46)(H,41,47)(H,42,51)(H,43,50)(H,48,49)/t23-,27-,28-,31-/m0/s1
PubChem CID56681744
ChEMBLCHEMBL1794000
IUPHARN/A
BindingDB50366373
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
23048Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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