Structure of PDB 8k9v Chain A Binding Site BS02 |
| >8k9v Chain A (length=489) Species: 5835 (Plasmodium falciparum CAMP/Malaysia)
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VDPRLYFENRSKFIQDQKDKGINPYPHKFERTISIPEFIEKYKDLGNGEH
LEDTILNITGRIMRVSASGQKLRFFDLVGDGEKIQVLANYSFHNHEKGNF
AECYDKIRRGDIVGIVGFPGKSKKGELSIFPKETILLSACLHMLPMKYGL
KDTEIRYRQRYLDLLINESSRHTFVTRTKIINFLRNFLNERGFFEVETPM
MNLIAGGANARPFITHHNDLDLDLYLRIATELPLKMLIVGGIDKVYEIGK
VFRNEGIDNTHNPEFTSCEFYWAYADYNDLIKWSEDFFSQLVYHLFGTYK
ISYNKDGPENQPIEIDFTPPYPKVSIVEEIEKVTNTILEQPFDSNETIEK
MINIIKEHKIELPNPPTAAKLLDQLASHFIENKYNDKPFFIVEHPQIMSP
LAKYHRTKPGLTERLEMFICGKEVLNAYTELNDPFKQKECFLDSAFCTSL
EYGLPPTGGLGLGIDRITMFLTNKNSIKDVILFPTMRPA |
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| Ligand ID | JT4 |
| InChI | InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-15(18)23-19-21-12-22-20(25-19)24-16-11-14(28-3)9-10-17(16)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25) |
| InChIKey | PGEVTSPIPOQOQQ-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(ccc3OC)OC | | CACTVS 3.385 | COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1 |
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| Formula | C20 H23 N5 O4 S |
| Name | ~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8k9v Chain A Residue 602
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