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Name | Dynorphin A(1-8) |
---|---|
Molecular formula | C46H72N14O10 |
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 weight | 981.17 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 14 |
XlogP | -3.7 |
Synonyms | ZINC169354862 CHEMBL217379 NCGC00163193-01 BDBM50128080 Dynorphin A (1-8), porcine [ Show all ] |
Inchi Key | WRPLGMBDXVBPEG-VGXZEHLRSA-N |
Inchi ID | InChI=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 CID | 10486131 |
ChEMBL | CHEMBL217379 |
IUPHAR | N/A |
BindingDB | 50128080 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
380621 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
462484 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
380622 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
380623 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
380624 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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