| Reaction Details |
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 | Report a problem with these data |
| Target | Endochitinase B1 |
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| Ligand | BDBM10850 |
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| Substrate/Competitor | BDBM10848 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| pH | 5.5±n/a |
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| Temperature | 310.15±n/a K |
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| Ki | 37000±2000 nM |
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| IC50 | 126000±7000 nM |
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| Citation |  Rao, FV; Andersen, OA; Vora, KA; Demartino, JA; van Aalten, DM Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem Biol12:973-80 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Endochitinase B1 |
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| Name: | Endochitinase B1 |
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| Synonyms: | AfChiB1 | CHIB1_ASPFM | Chitinase B1 | Class V chitinase ChiB1 | chiB1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 47612.97 |
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| Organism: | Aspergillus fumigatus |
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| Description: | Q873X9 |
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| Residue: | 433 |
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| Sequence: | MRFATSTIVKVALLLSSLCVDAAVMWNRDTSSTDLEARASSGYRSVVYFVNWAIYGRNHN
PQDLPVERLTHVLYAFANVRPETGEVYMTDSWADIEKHYPGDSWSDTGNNVYGCIKQLYL
LKKQNRNLKVLLSIGGWTYSPNFAPAASTDAGRKNFAKTAVKLLQDLGFDGLDIDWEYPE
NDQQANDFVLLLKEVRTALDSYSAANAGGQHFLLTVASPAGPDKIKVLHLKDMDQQLDFW
NLMAYDYAGSFSSLSGHQANVYNDTSNPLSTPFNTQTALDLYRAGGVPANKIVLGMPLYG
RSFANTDGPGKPYNGVGQGSWENGVWDYKALPQAGATEHVLPDIMASYSYDATNKFLISY
DNPQVANLKSGYIKSLGLGGAMWWDSSSDKTGSDSLITTVVNALGGTGVFEQSQNELDYP
VSQYDNLRNGMQT
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| BDBM10850 |
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| BDBM10848 |
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| Name | BDBM10850 |
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| Synonyms: | 1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione | 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione | CHEMBL628 | Pentoxifylline | Pentoxil | Pentoxyphylline |
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| Type | Small organic molecule |
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| Emp. Form. | C13H18N4O3 |
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| Mol. Mass. | 278.307 |
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| SMILES | CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O |
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| Structure | 
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