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Ligand

NameCHEMBL1766943
Molecular formulaC38H65N13O7
IUPAC name(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-(2-pyridin-2-ylethyl)amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight816.022
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP-3.0
SynonymsBDBM50342262
(S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)-N-(2-(pyridin-2-yl)ethyl)pyrrolidine-2-carboxamido)acetamido)-3-methylpentanamido)-4-methylpentanoic acid
Inchi KeyGIULXLCPBNSDKB-RUNCYGCVSA-N
Inchi IDInChI=1S/C38H65N13O7/c1-5-24(4)31(33(54)48-28(36(57)58)21-23(2)3)49-30(52)22-50(20-15-25-11-6-7-16-44-25)35(56)29-14-10-19-51(29)34(55)27(13-9-18-46-38(42)43)47-32(53)26(39)12-8-17-45-37(40)41/h6-7,11,16,23-24,26-29,31H,5,8-10,12-15,17-22,39H2,1-4H3,(H,47,53)(H,48,54)(H,49,52)(H,57,58)(H4,40,41,45)(H4,42,43,46)/t24-,26-,27-,28-,29-,31-/m0/s1
PubChem CID52951377
ChEMBLCHEMBL1766943
IUPHARN/A
BindingDB50342262
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
97574Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
97573Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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