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Ligand

NameCHEMBL6505
Molecular formulaC38H61N7O6
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[6-amino-2-(4-aminobutyl)hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
Molecular weight711.949
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP1.1
SynonymsBDBM50286861
(S)-2-{(S)-2-[(S)-2-({(R)-1-[6-Amino-2-(4-amino-butyl)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Inchi KeyTUHYVXGNMOGVMR-GASGPIRDSA-N
Inchi IDInChI=1S/C38H61N7O6/c1-24(2)21-30(37(50)51)43-35(48)32(38(3,4)5)44-33(46)29(22-26-23-41-28-16-7-6-15-27(26)28)42-34(47)31-17-12-20-45(31)36(49)25(13-8-10-18-39)14-9-11-19-40/h6-7,15-16,23-25,29-32,41H,8-14,17-22,39-40H2,1-5H3,(H,42,47)(H,43,48)(H,44,46)(H,50,51)/t29-,30-,31+,32+/m0/s1
PubChem CID44264252
ChEMBLCHEMBL6505
IUPHARN/A
BindingDB50286861
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
327714Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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