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Ligand

NameCHEMBL129953
Molecular formulaC40H69N10O8+
IUPAC name[(4S)-4-amino-5-[[N'-[(4S)-4-amino-5-[(2S)-2-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentyl]carbamimidoyl]amino]-5-oxopentyl]-trimethylazanium
Molecular weight818.054
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP-0.4
SynonymsBDBM50133200
Compound KK12
Inchi KeyLVYZUBJXPNPGQM-GCNYMACQSA-O
Inchi IDInChI=1S/C40H68N10O8/c1-8-25(4)33(37(55)46-31(39(57)58)22-24(2)3)47-35(53)30(23-26-15-17-27(51)18-16-26)45-36(54)32-14-10-20-49(32)38(56)29(42)12-9-19-44-40(43)48-34(52)28(41)13-11-21-50(5,6)7/h15-18,24-25,28-33H,8-14,19-23,41-42H2,1-7H3,(H7-,43,44,45,46,47,48,51,52,53,54,55,57,58)/p+1/t25-,28-,29-,30-,31-,32-,33-/m0/s1
PubChem CID44354154
ChEMBLCHEMBL129953
IUPHARN/A
BindingDB50133200
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
197834Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
197835Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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