Structure of PDB 1amn Chain A Binding Site BS01 |
>1amn Chain A (length=526) Species: 7787 (Tetronarce californica)
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SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKP WSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPS PRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAF GFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGG ASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLN CNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPT SLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFM SGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICP LMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLV KELNYTAEEEALSRRIMHYWATFAKTGNPNESKWPLFTTKEQKFIDLNTE PMKVHQRLRVQMCVFWNQFLPKLLNA |
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Ligand ID | NAF |
InChI | InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1 |
InChIKey | KGVDBJQLTHWAJF-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O | CACTVS 3.341 | C[N+](C)(C)c1cccc(c1)C(O)(O)C(F)(F)F | ACDLabs 10.04 | FC(F)(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C |
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Formula | C11 H15 F3 N O2 |
Name | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE |
ChEMBL | |
DrugBank | DB03359 |
ZINC | ZINC000003873189
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PDB chain | 1amn Chain A Residue 594
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