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Name | Dynorphin (1-11), ala(2)- |
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Molecular formula | C64H105N21O13 |
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 weight | 1376.68 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 19 |
XlogP | -4.3 |
Synonyms | BDBM85333 2-Ala-dynorphin (1-11) Dynorphin (1-11), alanine(2)- AC1NURVM L-Lysine, N2-(1-(N2-(N-(N2-(N2-(N-(N-(N-(N-L-tyrosyl-D-alanyl)glycyl)-L-phenylalanyl)-L-leucyl)-L-arginyl)-L-arginyl)-L-isoleucyl)-L-arginyl)-L-prolyl)- [ Show all ] |
Inchi Key | VTPKWYYFTHZENR-DFQGMJKVSA-N |
Inchi ID | InChI=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 CID | 5490755 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85333 |
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 |
---|---|---|---|---|---|
363977 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
462348 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
363978 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
363979 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
363980 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
557002 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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