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Ligand

NameDynorphin A(1-8)
Molecular formulaC46H72N14O10
IUPAC name(2S,3S)-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]-3-methylpentanoic acid
Molecular weight981.17
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-3.7
Synonyms75790-53-3
BDBM50128080
CHEMBL217379
Dynorphin A (1-8), porcine
Dynorphin A Porcine Fragment 1-8
[ Show all ]
Inchi KeyWRPLGMBDXVBPEG-VGXZEHLRSA-N
Inchi IDInChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1
PubChem CID10486131
ChEMBLCHEMBL217379
IUPHARN/A
BindingDB50128080
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
380621Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
462484Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
380622Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
380623Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
380624Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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