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Name | DSLET |
---|---|
Molecular formula | C33H46N6O10 |
IUPAC name | (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid |
Molecular weight | 686.763 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 10 |
XlogP | -3.0 |
Synonyms | D0EM9A FT-0773267 Ser(2)-leu(5)-enkephalin-thr(6) (2S,5S,8S,14R,17S)-17-amino-8-benzyl-2-((R)-1-hydroxyethyl)-14-(hydroxymethyl)-18-(4-hydroxyphenyl)-5-isobutyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecan-1-oic acid AC1Q1O9T [ Show all ] |
Inchi Key | PKSODCLCMBUCPW-LVNBQDLPSA-N |
Inchi ID | InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26-,28+/m1/s1 |
PubChem CID | 107847 |
ChEMBL | CHEMBL124283 |
IUPHAR | 1609 |
BindingDB | 50018708 |
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 |
---|---|---|---|---|---|
262187 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
262188 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
262192 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
461490 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
262190 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
262191 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
262185 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
262186 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
262189 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
554577 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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