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Ligand

NameCHEMBL132524
Molecular formulaC40H68N12O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-[[amino-[[(2S)-2-amino-5-(imidazolidin-2-ylamino)pentanoyl]amino]methylidene]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight845.06
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP-1.7
SynonymsBDBM50133201
Compound KK18
Inchi KeyLNZZSNMCNGPDHL-VDXNIVNJSA-N
Inchi IDInChI=1S/C40H68N12O8/c1-5-24(4)32(36(57)49-30(38(59)60)21-23(2)3)50-34(55)29(22-25-12-14-26(53)15-13-25)48-35(56)31-11-8-20-52(31)37(58)28(42)10-7-16-44-39(43)51-33(54)27(41)9-6-17-45-40-46-18-19-47-40/h12-15,23-24,27-32,40,45-47,53H,5-11,16-22,41-42H2,1-4H3,(H,48,56)(H,49,57)(H,50,55)(H,59,60)(H3,43,44,51,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID44354087
ChEMBLCHEMBL132524
IUPHARN/A
BindingDB50133201
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
192163Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
192162Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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