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Ligand

NameBDBM82078
Molecular formulaC36H58N8O9
IUPAC name2-[[2-[[2-[[1-[4-amino-2-(2,6-diaminohexanoylamino)-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight746.907
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP-1.8
SynonymsCAS_55508-42-4
NSC_128644
Inchi KeyVKJAQCBNNAUEKB-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H58N8O9/c1-5-21(4)30(34(50)42-27(36(52)53)17-20(2)3)43-32(48)25(18-22-11-13-23(45)14-12-22)40-33(49)28-10-8-16-44(28)35(51)26(19-29(39)46)41-31(47)24(38)9-6-7-15-37/h11-14,20-21,24-28,30,45H,5-10,15-19,37-38H2,1-4H3,(H2,39,46)(H,40,49)(H,41,47)(H,42,50)(H,43,48)(H,52,53)
PubChem CID19609520
ChEMBLN/A
IUPHARN/A
BindingDB82078
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
357209Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424
462299Neurotensin receptor type 2P70310Ntsr2Mus musculus (Mouse)416

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