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Ligand

NameCHEMBL1766825
Molecular formulaC39H66N12O8
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-(4-hydroxyphenyl)ethyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight831.033
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-2.3
SynonymsBDBM50342251
(S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)-N-(4-hydroxyphenethyl)pyrrolidine-2-carboxamido)acetamido)-3-methylpentanamido)-4-methylpentanoic acid
Inchi KeyOTRPRIATMKHSLX-KEIDJTHHSA-N
Inchi IDInChI=1S/C39H66N12O8/c1-5-24(4)32(34(55)48-29(37(58)59)21-23(2)3)49-31(53)22-50(20-16-25-12-14-26(52)15-13-25)36(57)30-11-8-19-51(30)35(56)28(10-7-18-46-39(43)44)47-33(54)27(40)9-6-17-45-38(41)42/h12-15,23-24,27-30,32,52H,5-11,16-22,40H2,1-4H3,(H,47,54)(H,48,55)(H,49,53)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t24-,27-,28-,29-,30-,32-/m0/s1
PubChem CID45102614
ChEMBLCHEMBL1766825
IUPHARN/A
BindingDB50342251
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
250157Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
250156Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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