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Ligand

NameFGGFTGARKSARKLARK
Molecular formulaC73H130N28O19
IUPAC name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
Molecular weight1704.02
Hydrogen bond acceptor26
Hydrogen bond donor28
XlogP-11.1
SynonymsCHEMBL499157
BDBM50274450
D0V6HE
Inchi KeyUNHQLKTVYYARAV-VKORATPISA-N
Inchi IDInChI=1S/C73H130N28O19/c1-39(2)33-52(67(116)91-41(4)59(108)95-50(26-18-32-86-73(82)83)64(113)98-51(70(119)120)23-12-15-29-76)99-65(114)46(21-10-13-27-74)96-63(112)49(25-17-31-85-72(80)81)94-60(109)42(5)92-68(117)53(38-102)100-66(115)47(22-11-14-28-75)97-62(111)48(24-16-30-84-71(78)79)93-58(107)40(3)90-55(105)37-89-69(118)57(43(6)103)101-56(106)36-87-54(104)35-88-61(110)45(77)34-44-19-8-7-9-20-44/h7-9,19-20,39-43,45-53,57,102-103H,10-18,21-38,74-77H2,1-6H3,(H,87,104)(H,88,110)(H,89,118)(H,90,105)(H,91,116)(H,92,117)(H,93,107)(H,94,109)(H,95,108)(H,96,112)(H,97,111)(H,98,113)(H,99,114)(H,100,115)(H,101,106)(H,119,120)(H4,78,79,84)(H4,80,81,85)(H4,82,83,86)/t40-,41-,42-,43+,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1
PubChem CID44588828
ChEMBLCHEMBL499157
IUPHARN/A
BindingDB50274450
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
340913Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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