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Ligand

NameCHEMBL253527
Molecular formulaC39H66N12O8
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]-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight831.033
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-3.6
Synonyms(S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamido)-4-methylpentanoic acid
BDBM50342253
Arg-Arg-Pro-beta-hTyr-Ile-Leu-OH
Inchi KeyPCBPTHDFBQRYJN-VGPFALITSA-N
Inchi IDInChI=1S/C39H66N12O8/c1-5-23(4)31(35(56)49-29(37(58)59)21-22(2)3)50-33(54)27(17-14-24-12-15-25(52)16-13-24)47-34(55)30-11-8-20-51(30)36(57)28(10-7-19-46-39(43)44)48-32(53)26(40)9-6-18-45-38(41)42/h12-13,15-16,22-23,26-31,52H,5-11,14,17-21,40H2,1-4H3,(H,47,55)(H,48,53)(H,49,56)(H,50,54)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
PubChem CID44447828
ChEMBLCHEMBL253527
IUPHARN/A
BindingDB50342253
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
256139Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
256140Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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