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Name | BDBM50274451 |
---|---|
Molecular formula | C85H147N33O20 |
IUPAC name | (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-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-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid |
Molecular weight | 1951.32 |
Hydrogen bond acceptor | 29 |
Hydrogen bond donor | 32 |
XlogP | -12.5 |
Synonyms | N/A |
Inchi Key | UJJPEJMTOWTFSE-VDORGCAASA-N |
Inchi ID | InChI=1S/C85H147N33O20/c1-48(106-65(122)46-105-80(136)67(50(3)120)118-78(134)62(43-52-24-8-5-9-25-52)108-66(123)45-103-64(121)44-104-70(126)53(90)42-51-22-6-4-7-23-51)68(124)109-57(30-18-38-99-82(91)92)73(129)113-56(28-12-16-36-88)77(133)117-63(47-119)79(135)107-49(2)69(125)110-58(31-19-39-100-83(93)94)74(130)111-54(26-10-14-34-86)71(127)114-59(32-20-40-101-84(95)96)75(131)112-55(27-11-15-35-87)72(128)115-60(33-21-41-102-85(97)98)76(132)116-61(81(137)138)29-13-17-37-89/h4-9,22-25,48-50,53-63,67,119-120H,10-21,26-47,86-90H2,1-3H3,(H,103,121)(H,104,126)(H,105,136)(H,106,122)(H,107,135)(H,108,123)(H,109,124)(H,110,125)(H,111,130)(H,112,131)(H,113,129)(H,114,127)(H,115,128)(H,116,132)(H,117,133)(H,118,134)(H,137,138)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)(H4,97,98,102)/t48-,49-,50+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,67-/m0/s1 |
PubChem CID | 91934904 |
ChEMBL | CHEMBL505824 |
IUPHAR | N/A |
BindingDB | 50274451 |
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 |
---|---|---|---|---|---|
338224 | Nociceptin receptor | P35370 | Oprl1 | Rattus norvegicus (Rat) | 367 |
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