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Ligand

NameCHEMBL6508
Molecular formulaC38H66N8O7
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-(4-hydroxyphenyl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
Molecular weight746.995
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP-0.3
SynonymsBDBM50286868
(1S,2S,4S)-2-{2-[(S)-2-({1-[6-Amino-2-(2,6-diamino-hexylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-1-(S)-oxo-propylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Inchi KeyGPDCLTFREWTNBN-ZCLHSLMCSA-N
Inchi IDInChI=1S/C38H66N8O7/c1-24(2)21-30(37(52)53)44-35(50)32(38(3,4)5)45-33(48)29(22-25-14-16-27(47)17-15-25)43-34(49)31-13-10-20-46(31)36(51)28(12-7-9-19-40)42-23-26(41)11-6-8-18-39/h14-17,24,26,28-32,42,47H,6-13,18-23,39-41H2,1-5H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t26-,28-,29-,30-,31+,32+/m0/s1
PubChem CID44264231
ChEMBLCHEMBL6508
IUPHARN/A
BindingDB50286868
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
101821Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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