| Reaction Details |
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 | Report a problem with these data |
| Target | Endochitinase B1 |
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| Ligand | BDBM50173286 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_320946 (CHEMBL882465) |
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| Ki | 17±n/a nM |
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| Citation |  Dixon, MJ; Andersen, OA; van Aalten, DM; Eggleston, IM An efficient synthesis of argifin: a natural product chitinase inhibitor with chemotherapeutic potential. Bioorg Med Chem Lett15:4717-21 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, 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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| BDBM50173286 |
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| n/a |
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| Name | BDBM50173286 |
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| Synonyms: | 5-[3-[amino-(methylcarbamoylamino)methylidene]aminopropyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid | CHEMBL197199 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H41N9O10 |
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| Mol. Mass. | 675.6901 |
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| SMILES | CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r,w:7.7| |
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| Structure | 
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