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Ligand

NameCID 44265524
Molecular formulaC39H62N6O9
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(E)-3-[(2S)-1-[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidin-2-yl]-3-oxoprop-1-enyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight758.958
Hydrogen bond acceptor11
Hydrogen bond donor7
XlogP2.8
SynonymsN/A
Inchi KeyMQPSRBUOULZMNK-FLNNRAHFSA-N
Inchi IDInChI=1S/C39H62N6O9/c1-8-25(4)33(35(49)42-30(37(51)52)22-24(2)3)44-34(48)29(23-26-14-16-27(46)17-15-26)41-20-18-32(47)31-13-11-21-45(31)36(50)28(12-9-10-19-40)43-38(53)54-39(5,6)7/h14-18,20,24-25,28-31,33,41,46H,8-13,19,21-23,40H2,1-7H3,(H,42,49)(H,43,53)(H,44,48)(H,51,52)/b20-18+/t25-,28-,29-,30-,31-,33-/m0/s1
PubChem CID44265524
ChEMBLCHEMBL267748
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
211913Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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