Structure of PDB 5xu2 Chain A Binding Site BS03 |
| >5xu2 Chain A (length=675) Species: 322104 (Scheffersomyces stipitis CBS 6054)
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SVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDT
KWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPE
NTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVF
LGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVI
ARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGS
LAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAEN
QKIQQQWNELFAAYKQKYPELGAELQRRLDGKLPENWDKALPVYTPADAA
VATRKLSEIVLSKIIPEVPEIIGGSADLTPSNLTKAKGTVDFQPAATGLG
DYSGRYIRYGVREHAMGAIMNGIAAFGANYKNYGGTFLNFVSYAAGAVRL
SALSEFPITWVATHDSIGLGEDGPTHQPIETLAHFRATPNISVWRPADGN
ETSAAYKSAIESTHTPHILALTRQNLPQLEGSSIEKASKGGYTLVQQDKA
DIIIVATGSEVSLAVDALKVLEGQGIKAGVVSLPDQLTFDKQSEEYKLSV
LPDGVPILSVEVMSTFGWSKYSHQQFGLNRFGASGKAPEIFKLFEFTPEG
VAERAAKTVAFYKGKDVVSPLRSAF |
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| Ligand ID | 8EL |
| InChI | InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5H,3-4,6-7H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19) |
| InChIKey | FCUXBJDJFWOWMD-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | Cc1ncc(CN2CSC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1 | | OpenEye OEToolkits 2.0.6 | Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O |
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| Formula | C12 H20 N4 O7 P2 S |
| Name | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5xu2 Chain A Residue 706
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