Structure of PDB 8kfo Chain B Binding Site BS01 |
| >8kfo Chain B (length=581) Species: 9913 (Bos taurus)
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HKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKT
CVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECF
LSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPE
LLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASI
QKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLEC
ADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLP
PLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEY
EATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGF
QNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYL
SLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFD
EKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVA
FVDKCCAADDKEACFAVEGPKLVVSTQTALA |
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| Ligand ID | OP6 |
| InChI | InChI=1S/C26H33N2O3/c1-27(2)26-9-8-24-20-23(6-7-25(24)21-26)5-4-22-10-12-28(13-11-22)14-15-30-18-19-31-17-16-29-3/h4-13,20-21H,14-19H2,1-3H3/q+1 |
| InChIKey | WKTJDXGTTJINPQ-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CN(C)c1ccc2cc(ccc2c1)/C=C/c3cc[n+](cc3)CCOCCOCCOC | | CACTVS 3.385 | COCCOCCOCC[n+]1ccc(/C=C/c2ccc3cc(ccc3c2)N(C)C)cc1 | | OpenEye OEToolkits 2.0.7 | CN(C)c1ccc2cc(ccc2c1)C=Cc3cc[n+](cc3)CCOCCOCCOC | | CACTVS 3.385 | COCCOCCOCC[n+]1ccc(C=Cc2ccc3cc(ccc3c2)N(C)C)cc1 |
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| Formula | C26 H33 N2 O3 |
| Name | 6-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-naphthalen-2-amine |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8kfo Chain B Residue 601
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