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Name | nociceptin(1-13)NH2 |
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Molecular formula | C61H100N22O15 |
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-phenylpropanoyl]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 | 1381.61 |
Hydrogen bond acceptor | 20 |
Hydrogen bond donor | 22 |
XlogP | -7.0 |
Synonyms | OFQ/N (1-11) D0Z2XW NCGC00167157-01 BDBM50106479 GTPL1682 [ Show all ] |
Inchi Key | RHMALYOXPBRJBG-CGUXNFSNSA-N |
Inchi ID | InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1 |
PubChem CID | 6324645 |
ChEMBL | CHEMBL384755 |
IUPHAR | 1682 |
BindingDB | 85822, 50106479 |
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 |
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296315 | Nociceptin receptor | P35377 | Oprl1 | Mus musculus (Mouse) | 367 |
296316 | Nociceptin receptor | P35370 | Oprl1 | Rattus norvegicus (Rat) | 367 |
296317 | Nociceptin receptor | P41146 | OPRL1 | Homo sapiens (Human) | 370 |
296318 | Nociceptin receptor | P79292 | OPRL1 | Sus scrofa (Pig) | 370 |
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