Structure of PDB 1hx9 Chain A Binding Site BS03 |
| >1hx9 Chain A (length=523) Species: 4097 (Nicotiana tabacum)
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SPSLWGDQFLSFSIDNQVAEKYAKEIEALKEQTRNMLLATGMKLADTLNL
IDTIERLGISYHFEKEIDDILDQIYNQDLCTSALQFRLLRQHGFNISPEI
FSKFQDENGKFKESLASDVLGLLNLYEASHVRTHADDILEDALAFSTIHL
ESAAPHLKSPLREQVTHALEQCLHKGVPRVETRFFISSIYDKEQSKNNVL
LRFAKLDFNLLQMLHKQELAQVSRWWKDLDFVTTLPYARDRVVECYFSAL
GVYFEPQYSQARVMLVKTISMISIVDDTFDAYGTVKELEAYTDAIQRWDI
NEIDRLPDYMKISYKAILDLYKDYEKELSSAGRSHIVCHAIERMKEVVRN
YNVESTWFIEGYTPPVSEYLSNALATTTYYYLATTSYLGMKSATEQDFEW
LSKNPKILEASVIICRVIDDTATYEVEKSRGQIATGIECCMRDYGISTKE
AMAKFQNMAETAWKDINEGLLRPTPVSTEFLTPILNLARIVEVTYIHNLD
GYTHPEEVLKPHIINLLVDSIKI |
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| Ligand ID | FHP |
| InChI | InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,11,15-16H,5-6,8,10H2,1-4H3,(H2,17,18,19)/b13-9+,14-11+/t15-/m1/s1 |
| InChIKey | MONZTFSZTWQCKH-UBHHKXJDSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/C)/C)C | | CACTVS 3.341 | CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H](O)[P](O)(O)=O | | OpenEye OEToolkits 1.5.0 | CC(=CCCC(=CCCC(=CC(O)P(=O)(O)O)C)C)C | | CACTVS 3.341 | CC(C)=CCCC(C)=CCCC(C)=C[CH](O)[P](O)(O)=O | | ACDLabs 10.04 | O=P(O)(O)C(O)/C=C(/CC\C=C(/C)CC\C=C(/C)C)C |
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| Formula | C15 H27 O4 P |
| Name | 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID;
FARNESYL HYDROXYPHOSPHONATE |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000001535663
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| PDB chain | 1hx9 Chain A Residue 900
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