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Ligand

NameCHEMBL1790476
Molecular formulaC50H86N6O8
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-(octadecanoylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight899.272
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP8.6
SynonymsBDBM50366312
Inchi KeyFJOZRXHHBXJDPW-FTIUVDFJSA-N
Inchi IDInChI=1S/C50H86N6O8/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-44(58)52-40(25-22-23-32-51)49(62)56-33-24-26-43(56)47(60)53-41(35-38-28-30-39(57)31-29-38)46(59)55-45(37(5)7-2)48(61)54-42(50(63)64)34-36(3)4/h28-31,36-37,40-43,45,57H,6-27,32-35,51H2,1-5H3,(H,52,58)(H,53,60)(H,54,61)(H,55,59)(H,63,64)/t37-,40+,41+,42+,43+,45+/m1/s1
PubChem CID56662444
ChEMBLCHEMBL1790476
IUPHARN/A
BindingDB50366312
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
79936Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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