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Ligand

NameCHEMBL450827
Molecular formulaC106H177N23O23
IUPAC name[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-6-(octadecanoylamino)-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)acetate
Molecular weight2141.72
Hydrogen bond acceptor27
Hydrogen bond donor25
XlogP6.2
Synonyms(Sar)WTLNSAGYLLGPKK(Lys-stearoyl)K
D0Z3QG
BDBM50293025
Inchi KeyIJKWJUNWQVNEKE-QPWLOKLFSA-N
Inchi IDInChI=1S/C106H177N23O23/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-44-88(134)113-52-35-31-42-77(96(141)119-75(93(111)138)39-28-32-49-107)121-97(142)76(40-29-33-50-108)120-98(143)78(41-30-34-51-109)122-104(149)85-43-36-53-129(85)90(136)62-116-95(140)79(54-65(2)3)123-99(144)80(55-66(4)5)124-101(146)82(57-70-45-47-72(132)48-46-70)118-89(135)61-115-94(139)68(8)117-103(148)84(64-130)127-102(147)83(59-87(110)133)125-100(145)81(56-67(6)7)126-106(151)92(69(9)131)128-105(150)86(152-91(137)63-112-10)58-71-60-114-74-38-27-26-37-73(71)74/h26-27,37-38,45-48,60,65-69,75-86,92,112,114,130-132H,11-25,28-36,39-44,49-59,61-64,107-109H2,1-10H3,(H2,110,133)(H2,111,138)(H,113,134)(H,115,139)(H,116,140)(H,117,148)(H,118,135)(H,119,141)(H,120,143)(H,121,142)(H,122,149)(H,123,144)(H,124,146)(H,125,145)(H,126,151)(H,127,147)(H,128,150)/t68-,69+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,92-/m0/s1
PubChem CID44563957
ChEMBLCHEMBL450827
IUPHARN/A
BindingDB50293025
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
134681Galanin receptor type 1P47211GALR1Homo sapiens (Human)349
134682Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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