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Ligand

NameCHEMBL336836
Molecular formulaC40H68N12O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-[[amino-[[(2S)-2-amino-5-[[amino(ethylamino)methylidene]amino]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 acceptor12
Hydrogen bond donor11
XlogP-1.2
SynonymsBDBM50133188
Compound KK17
Inchi KeyJQOMFKZSHXBCPP-VDXNIVNJSA-N
Inchi IDInChI=1S/C40H68N12O8/c1-6-24(5)32(36(57)49-30(38(59)60)21-23(3)4)50-34(55)29(22-25-14-16-26(53)17-15-25)48-35(56)31-13-10-20-52(31)37(58)28(42)12-9-19-47-40(44)51-33(54)27(41)11-8-18-46-39(43)45-7-2/h14-17,23-24,27-32,53H,6-13,18-22,41-42H2,1-5H3,(H,48,56)(H,49,57)(H,50,55)(H,59,60)(H3,43,45,46)(H3,44,47,51,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID44354088
ChEMBLCHEMBL336836
IUPHARN/A
BindingDB50133188
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
157463Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
157462Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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