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Ligand

NameCHEMBL335846
Molecular formulaC39H66N10O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-[[amino-[[(2S)-2,7-diaminoheptanoyl]amino]methylidene]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
Molecular weight803.019
Hydrogen bond acceptor12
Hydrogen bond donor10
XlogP-0.6
SynonymsBDBM50133197
Compound KK13
Inchi KeyNWHUBNGSOHGYBR-MWCICDNOSA-N
Inchi IDInChI=1S/C39H66N10O8/c1-23(2)21-29(37(56)57)46-35(54)31(39(3,4)5)47-33(52)28(22-24-14-16-25(50)17-15-24)45-34(53)30-13-10-20-49(30)36(55)27(42)12-9-19-44-38(43)48-32(51)26(41)11-7-6-8-18-40/h14-17,23,26-31,50H,6-13,18-22,40-42H2,1-5H3,(H,45,53)(H,46,54)(H,47,52)(H,56,57)(H3,43,44,48,51)/t26-,27-,28-,29-,30-,31+/m0/s1
PubChem CID11657884
ChEMBLCHEMBL335846
IUPHARN/A
BindingDB50133197
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
233712Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
233713Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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