Structure of PDB 6ld2 Chain A Binding Site BS03 |
| >6ld2 Chain A (length=565) Species: 2043570 (Zika virus ZIKV/H. sapiens/FrenchPolynesia/10087PF/2013)
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PNMKIIGNRIERIRSEHAETWFFDENHPYRTWAYHGSYEAPLINGVVRLL
SKPWDVVTGVTGIAGQQRVFKEKVDTRVPDPQEGTRQVMSMVSSWLWKEL
GKHKRPRVCTKEEFINKVRSEAVNDPRFWALVDKEREHHLRGECQSCVYN
MMGRAIWYMWLGARFLEFEALGFLNEDHWMGRENSGGGVEGLGLQRLGYV
LEEMSRIPGGRMYADDTAGWDTRISRFDLENEALITNQMEKGHRALALAI
IKYTYQNKVVKVLRKGKTVMDIISRQDQRGSGQVVTYALNTFTNLVVQLI
RNMEAEEVLEMQDLWLLRRSEKVTNWLQSNGWDRLKRMAVSGDDCVVKPI
DDRFAHALRFLNDMGKVRKDTQEWKPSTGWDNWEEVPFCSHHFNKLHLKD
GRSIVVPCRHQDELIGRARVSPGAGWSIRETACLAKSYAQMWQLLYFHRR
DLRLMANAICSSVPVDWVPTGRTTWSIHGKGEWMTTEDMLVVWNRVWIEE
NDHMEDKTPVTKWTDIPYLGKREDLWCGSLIGHRPRTTWAENIKNTVNMV
RRIIGDEEKYMDYLS |
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| Ligand ID | KY3 |
| InChI | InChI=1S/C13H18O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-5,8-11H,6-7H2,1-2H3,(H,14,15)/t8-,9+,10+,11+/m1/s1 |
| InChIKey | RFIIEINMNPNZEZ-RCWTZXSCSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CO[CH]1C[CH](OC)[CH](C[CH]1C(O)=O)c2sccc2 | | OpenEye OEToolkits 2.0.7 | CO[C@H]1C[C@@H]([C@H](C[C@H]1c2cccs2)C(=O)O)OC | | CACTVS 3.385 | CO[C@H]1C[C@H](OC)[C@@H](C[C@@H]1C(O)=O)c2sccc2 | | OpenEye OEToolkits 2.0.7 | COC1CC(C(CC1c2cccs2)C(=O)O)OC |
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| Formula | C13 H18 O4 S |
| Name | (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6ld2 Chain A Residue 903
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