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Ligand

NameCHEMBL430910
Molecular formulaC38H64N10O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-[[amino-[[(2S)-2,6-diaminohexanoyl]amino]methylidene]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight788.992
Hydrogen bond acceptor12
Hydrogen bond donor10
XlogP-1.0
SynonymsBDBM50133190
Compound KK5
Inchi KeyMPEPKWMFQGIXEZ-VGPFALITSA-N
Inchi IDInChI=1S/C38H64N10O8/c1-5-23(4)31(35(53)45-29(37(55)56)20-22(2)3)46-33(51)28(21-24-13-15-25(49)16-14-24)44-34(52)30-12-9-19-48(30)36(54)27(41)11-8-18-43-38(42)47-32(50)26(40)10-6-7-17-39/h13-16,22-23,26-31,49H,5-12,17-21,39-41H2,1-4H3,(H,44,52)(H,45,53)(H,46,51)(H,55,56)(H3,42,43,47,50)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
PubChem CID44354245
ChEMBLCHEMBL430910
IUPHARN/A
BindingDB50133190
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
211033Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
211034Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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