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Name | D06ZTU |
---|---|
Molecular formula | C82H135N27O22 |
IUPAC name | (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid |
Molecular weight | 1851.15 |
Hydrogen bond acceptor | 27 |
Hydrogen bond donor | 30 |
XlogP | -8.9 |
Synonyms | N/A |
Inchi Key | OQBMVKTZJNOYNF-WBMOPDPASA-N |
Inchi ID | InChI=1S/C82H135N27O22/c1-43(2)34-56(74(124)106-57(35-44(3)4)75(125)107-59(38-62(87)113)76(126)104-55(80(130)131)28-29-61(86)112)105-72(122)51(24-14-16-30-83)102-71(121)54(27-19-33-93-82(90)91)101-68(118)46(6)98-78(128)60(42-110)108-73(123)52(25-15-17-31-84)103-70(120)53(26-18-32-92-81(88)89)100-67(117)45(5)97-64(115)41-96-79(129)66(47(7)111)109-77(127)58(37-49-22-12-9-13-23-49)99-65(116)40-94-63(114)39-95-69(119)50(85)36-48-20-10-8-11-21-48/h8-13,20-23,43-47,50-60,66,110-111H,14-19,24-42,83-85H2,1-7H3,(H2,86,112)(H2,87,113)(H,94,114)(H,95,119)(H,96,129)(H,97,115)(H,98,128)(H,99,116)(H,100,117)(H,101,118)(H,102,121)(H,103,120)(H,104,126)(H,105,122)(H,106,124)(H,107,125)(H,108,123)(H,109,127)(H,130,131)(H4,88,89,92)(H4,90,91,93)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1 |
PubChem CID | 44588841 |
ChEMBL | CHEMBL504872 |
IUPHAR | N/A |
BindingDB | 50274464 |
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 |
---|---|---|---|---|---|
247547 | Nociceptin receptor | P35370 | Oprl1 | Rattus norvegicus (Rat) | 367 |
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