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Name | CHEMBL3952303 |
---|---|
Molecular formula | C36H55N9O4 |
IUPAC name | (2S)-N-[(2S)-6-amino-1-(4-carbamimidoyl-1,4-diazepan-1-yl)-1-oxohexan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide |
Molecular weight | 677.895 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 7 |
XlogP | 1.9 |
Synonyms | N/A |
Inchi Key | CWBUYWLRHFVJKT-ORYMTKCHSA-N |
Inchi ID | InChI=1S/C36H55N9O4/c1-25(2)22-30(33(47)41-29(16-9-10-17-37)35(49)44-18-11-19-45(21-20-44)36(39)40)43-34(48)31(24-27-14-7-4-8-15-27)42-32(46)28(38)23-26-12-5-3-6-13-26/h3-8,12-15,25,28-31H,9-11,16-24,37-38H2,1-2H3,(H3,39,40)(H,41,47)(H,42,46)(H,43,48)/t28-,29-,30-,31-/m0/s1 |
PubChem CID | 134143705 |
ChEMBL | CHEMBL3952303 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
548488 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
548489 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
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