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Ligand

NameCHEMBL1766941
Molecular formulaC40H68N12O8
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-methoxyphenyl)ethyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight845.06
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP-2.0
SynonymsBDBM50342258
(S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)-N-(4-methoxyphenethyl)pyrrolidine-2-carboxamido)acetamido)-3-methylpentanamido)-4-methylpentanoic acid
Inchi KeyLGNBWJGWZXGACQ-KECVWQCXSA-N
Inchi IDInChI=1S/C40H68N12O8/c1-6-25(4)33(35(55)49-30(38(58)59)22-24(2)3)50-32(53)23-51(21-17-26-13-15-27(60-5)16-14-26)37(57)31-12-9-20-52(31)36(56)29(11-8-19-47-40(44)45)48-34(54)28(41)10-7-18-46-39(42)43/h13-16,24-25,28-31,33H,6-12,17-23,41H2,1-5H3,(H,48,54)(H,49,55)(H,50,53)(H,58,59)(H4,42,43,46)(H4,44,45,47)/t25-,28-,29-,30-,31-,33-/m0/s1
PubChem CID52951375
ChEMBLCHEMBL1766941
IUPHARN/A
BindingDB50342258
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
186856Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
186857Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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