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Ligand

NameGalanin (10-29), rat
Molecular formulaC91H141N31O27
IUPAC name4-[[6-amino-1-[[1-[[2-[[1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[2-[[2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Molecular weight2101.32
Hydrogen bond acceptor33
Hydrogen bond donor31
XlogP-13.6
SynonymsBDBM85202
Inchi KeyBPFIETVNSSCYPM-UHFFFAOYSA-N
Inchi IDInChI=1S/C91H141N31O27/c1-9-46(6)72(120-75(134)47(7)107-80(139)59(29-51-35-99-42-105-51)116-89(148)66-21-16-24-122(66)69(128)38-103-76(135)53(93)25-44(2)3)90(149)117-63(33-71(131)132)85(144)114-61(31-67(94)126)83(142)113-60(30-52-36-100-43-106-52)82(141)110-55(20-15-23-101-91(96)97)79(138)118-64(39-123)87(146)111-57(27-49-17-11-10-12-18-49)81(140)119-65(40-124)88(147)115-62(32-70(129)130)84(143)109-54(19-13-14-22-92)78(137)112-58(28-50-34-98-41-104-50)77(136)102-37-68(127)108-56(26-45(4)5)86(145)121-73(48(8)125)74(95)133/h10-12,17-18,34-36,41-48,53-66,72-73,123-125H,9,13-16,19-33,37-40,92-93H2,1-8H3,(H2,94,126)(H2,95,133)(H,98,104)(H,99,105)(H,100,106)(H,102,136)(H,103,135)(H,107,139)(H,108,127)(H,109,143)(H,110,141)(H,111,146)(H,112,137)(H,113,142)(H,114,144)(H,115,147)(H,116,148)(H,117,149)(H,118,138)(H,119,140)(H,120,134)(H,121,145)(H,129,130)(H,131,132)(H4,96,97,101)
PubChem CID91898932
ChEMBLN/A
IUPHARN/A
BindingDB85202
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29501Galanin receptor type 3O88626Galr3Rattus norvegicus (Rat)370

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