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Ligand

NameBDBM50342239
Molecular formulaC38H66N12O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-oxocyclohexen-1-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight819.022
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-3.7
Synonyms(S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-3-(4-hydroxycyclohexa-1,3-dienyl)propanamido)-3-methylpentanamido)-4-methylpentanoic acid
Inchi KeyMNAUCEOVVHVMEM-ODKJCKIQSA-N
Inchi IDInChI=1S/C38H66N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12,21-22,25-30H,5-11,13-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
PubChem CID91932433
ChEMBLN/A
IUPHARN/A
BindingDB50342239
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
209486Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
461049Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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