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Ligand

NameBDBM85201
Molecular formulaC81H112N20O19
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
Molecular weight1669.91
Hydrogen bond acceptor21
Hydrogen bond donor21
XlogP-0.8
SynonymsGalanin (1-15)-ol,[Ala6,D-trp8]
Inchi KeyZYMHSZMNDHCIME-AQJZISFMSA-N
Inchi IDInChI=1S/C81H112N20O19/c1-40(2)26-56(71(109)87-38-67(106)101-25-15-20-64(101)79(117)98-62(32-50-37-84-39-88-50)72(110)91-45(9)81(119)120)94-74(112)57(27-41(3)4)95-76(114)59(29-47-21-23-51(103)24-22-47)96-77(115)61(31-49-36-86-55-19-14-12-17-53(49)55)93-70(108)44(8)89-69(107)43(7)90-73(111)63(33-65(83)104)97-75(113)58(28-42(5)6)99-80(118)68(46(10)102)100-78(116)60(92-66(105)34-82)30-48-35-85-54-18-13-11-16-52(48)54/h11-14,16-19,21-24,35-37,39-46,56-64,68,85-86,102-103H,15,20,25-34,38,82H2,1-10H3,(H2,83,104)(H,84,88)(H,87,109)(H,89,107)(H,90,111)(H,91,110)(H,92,105)(H,93,108)(H,94,112)(H,95,114)(H,96,115)(H,97,113)(H,98,117)(H,99,118)(H,100,116)(H,119,120)/t43-,44-,45-,46+,56-,57-,58-,59-,60-,61+,62-,63-,64-,68-/m0/s1
PubChem CID91898931
ChEMBLN/A
IUPHARN/A
BindingDB85201
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
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GLASS IDNameUniProtGeneSpeciesLength
440589Galanin receptor type 3O88626Galr3Rattus norvegicus (Rat)370

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