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Ligand

NameDynorphin (1-11), ala(2)-
Molecular formulaC64H105N21O13
IUPAC name(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
Molecular weight1376.68
Hydrogen bond acceptor18
Hydrogen bond donor19
XlogP-4.3
Synonyms2-Ala-dynorphin (1-11)
75491-15-5
AC1NURVM
Ala-dynorphin
BDBM85333
[ Show all ]
Inchi KeyVTPKWYYFTHZENR-DFQGMJKVSA-N
Inchi IDInChI=1S/C64H105N21O13/c1-6-37(4)51(59(95)81-45(21-14-30-75-64(71)72)60(96)85-31-15-22-49(85)58(94)82-46(61(97)98)18-10-11-27-65)84-55(91)44(20-13-29-74-63(69)70)79-54(90)43(19-12-28-73-62(67)68)80-56(92)47(32-36(2)3)83-57(93)48(34-39-16-8-7-9-17-39)78-50(87)35-76-52(88)38(5)77-53(89)42(66)33-40-23-25-41(86)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,86H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H,76,88)(H,77,89)(H,78,87)(H,79,90)(H,80,92)(H,81,95)(H,82,94)(H,83,93)(H,84,91)(H,97,98)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
PubChem CID5490755
ChEMBLN/A
IUPHARN/A
BindingDB85333
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
363977Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
462348Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
363978Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
363979Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
363980Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
557002Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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