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Ligand

NameCHEMBL269601
Molecular formulaC40H67N9O6
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
Molecular weight770.033
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP0.2
SynonymsBDBM50286866
2-{2-[(S)-2-({1-[(S)-6-Amino-2-((S)-2,6-diamino-hexylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-1-(S)-oxo-propylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Inchi KeyCANBGLXQLKQPHM-RYNZSIQFSA-N
Inchi IDInChI=1S/C40H67N9O6/c1-25(2)21-32(39(54)55)47-37(52)34(40(3,4)5)48-35(50)31(22-26-23-44-29-15-7-6-14-28(26)29)46-36(51)33-17-12-20-49(33)38(53)30(16-9-11-19-42)45-24-27(43)13-8-10-18-41/h6-7,14-15,23,25,27,30-34,44-45H,8-13,16-22,24,41-43H2,1-5H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)/t27-,30-,31-,32-,33+,34+/m0/s1
PubChem CID44264232
ChEMBLCHEMBL269601
IUPHARN/A
BindingDB50286866
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
37316Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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