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Ligand

NameCHEMBL1766942
Molecular formulaC39H66N12O7
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-phenylethyl)amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight815.034
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP-2.0
SynonymsBDBM50342255
(S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)-N-phenethylpyrrolidine-2-carboxamido)acetamido)-3-methylpentanamido)-4-methylpentanoic acid
Inchi KeyDZORUALHNFLLAP-KZECFEFESA-N
Inchi IDInChI=1S/C39H66N12O7/c1-5-25(4)32(34(54)48-29(37(57)58)22-24(2)3)49-31(52)23-50(21-17-26-12-7-6-8-13-26)36(56)30-16-11-20-51(30)35(55)28(15-10-19-46-39(43)44)47-33(53)27(40)14-9-18-45-38(41)42/h6-8,12-13,24-25,27-30,32H,5,9-11,14-23,40H2,1-4H3,(H,47,53)(H,48,54)(H,49,52)(H,57,58)(H4,41,42,45)(H4,43,44,46)/t25-,27-,28-,29-,30-,32-/m0/s1
PubChem CID52951376
ChEMBLCHEMBL1766942
IUPHARN/A
BindingDB50342255
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
72889Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
72888Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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