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Name | CHEMBL261997 |
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Molecular formula | C61H99FN22O15 |
IUPAC name | (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-(4-fluorophenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide |
Molecular weight | 1399.6 |
Hydrogen bond acceptor | 21 |
Hydrogen bond donor | 22 |
XlogP | -6.9 |
Synonyms | AKOS024456671 Phe-Gly-Gly-4-Fluoro-Phe-Thr-Gly-Ala-Arg-Lys-Ser-Ala-Arg-Lys-NH2 |
Inchi Key | OGKNRWXOEHEYOV-QHYQKCGXSA-N |
Inchi ID | InChI=1S/C61H99FN22O15/c1-33(76-47(88)31-75-59(99)49(35(3)86)84-57(97)44(28-37-19-21-38(62)22-20-37)78-48(89)30-73-46(87)29-74-53(93)39(65)27-36-13-5-4-6-14-36)51(91)80-43(18-12-26-72-61(69)70)55(95)82-41(16-8-10-24-64)56(96)83-45(32-85)58(98)77-34(2)52(92)81-42(17-11-25-71-60(67)68)54(94)79-40(50(66)90)15-7-9-23-63/h4-6,13-14,19-22,33-35,39-45,49,85-86H,7-12,15-18,23-32,63-65H2,1-3H3,(H2,66,90)(H,73,87)(H,74,93)(H,75,99)(H,76,88)(H,77,98)(H,78,89)(H,79,94)(H,80,91)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H4,67,68,71)(H4,69,70,72)/t33-,34-,35+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1 |
PubChem CID | 10260917 |
ChEMBL | CHEMBL261997 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
240683 | Nociceptin receptor | P41146 | OPRL1 | Homo sapiens (Human) | 370 |
240684 | Nociceptin receptor | P35377 | Oprl1 | Mus musculus (Mouse) | 367 |
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