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Ligand

NameCHEMBL1766937
Molecular formulaC39H66N12O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight831.033
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-2.5
SynonymsBDBM50342249
(S)-2-((2S,3S)-2-((S)-3-((S)-1-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamido)-4-methylpentanoic acid
Inchi KeyGMIGKQSZUHXGIW-ASPXTORKSA-N
Inchi IDInChI=1S/C39H66N12O8/c1-5-23(4)32(35(56)49-29(37(58)59)19-22(2)3)50-31(53)21-25(20-24-12-14-26(52)15-13-24)47-34(55)30-11-8-18-51(30)36(57)28(10-7-17-46-39(43)44)48-33(54)27(40)9-6-16-45-38(41)42/h12-15,22-23,25,27-30,32,52H,5-11,16-21,40H2,1-4H3,(H,47,55)(H,48,54)(H,49,56)(H,50,53)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,25-,27-,28-,29-,30-,32-/m0/s1
PubChem CID54585023
ChEMBLCHEMBL1766937
IUPHARN/A
BindingDB50342249
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
99923Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
99924Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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