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Ligand

NameDynorphin B
Molecular formulaC74H115N21O17
IUPAC name(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
Molecular weight1570.86
Hydrogen bond acceptor21
Hydrogen bond donor22
XlogP-3.6
SynonymsAKOS024457470
Dynorphin B porcine, >=95% (HPLC)
NCGC00163206-02
D0H0OO
GTPL1622
[ Show all ]
Inchi KeyAGTSSZRZBSNTGQ-ITZCFHCWSA-N
Inchi IDInChI=1S/C74H115N21O17/c1-40(2)34-53(91-68(107)54(36-44-18-10-8-11-19-44)86-58(100)39-84-57(99)38-85-62(101)48(76)35-46-25-27-47(97)28-26-46)67(106)89-51(24-17-33-83-74(80)81)63(102)87-50(23-16-32-82-73(78)79)64(103)90-52(29-30-56(77)98)65(104)92-55(37-45-20-12-9-13-21-45)69(108)88-49(22-14-15-31-75)66(105)93-59(41(3)4)70(109)94-60(42(5)6)71(110)95-61(43(7)96)72(111)112/h8-13,18-21,25-28,40-43,48-55,59-61,96-97H,14-17,22-24,29-39,75-76H2,1-7H3,(H2,77,98)(H,84,99)(H,85,101)(H,86,100)(H,87,102)(H,88,108)(H,89,106)(H,90,103)(H,91,107)(H,92,104)(H,93,105)(H,94,109)(H,95,110)(H,111,112)(H4,78,79,82)(H4,80,81,83)/t43-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60+,61+/m1/s1
PubChem CID25075991
ChEMBLN/A
IUPHAR1622
BindingDB85325
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5204Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
459265Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
5202Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
5205Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
553265Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
553267Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
5207Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
553266Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
555502Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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