| Reaction Details |
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 | Report a problem with these data |
| Target | Thermolysin |
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| Ligand | BDBM50006114 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_210389 |
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| Ki | 430±n/a nM |
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| Citation |  Bohacek, RS; McMartin, C Definition and display of steric, hydrophobic, and hydrogen-bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design. J Med Chem35:1671-84 (1992) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Thermolysin |
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| Name: | Thermolysin |
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| Synonyms: | THER_BACTH | npr |
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| Type: | PROTEIN |
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| Mol. Mass.: | 60097.54 |
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| Organism: | Bacillus thermoproteolyticus |
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| Description: | ChEMBL_1468794 |
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| Residue: | 548 |
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| Sequence: | MKMKMKLASFGLAAGLAAQVFLPYNALASTEHVTWNQQFQTPQFISGDLLKVNGTSPEEL
VYQYVEKNENKFKFHENAKDTLQLKEKKNDNLGFTFMRFQQTYKGIPVFGAVVTSHVKDG
TLTALSGTLIPNLDTKGSLKSGKKLSEKQARDIAEKDLVANVTKEVPEYEQGKDTEFVVY
VNGDEASLAYVVNLNFLTPEPGNWLYIIDAVDGKILNKFNQLDAAKPGDVKSITGTSTVG
VGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADNQFFASYDA
PAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDGDGQ
TFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEI
GEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGG
THYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQ
AFDAVGVK
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| BDBM50006114 |
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| n/a |
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| Name | BDBM50006114 |
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| Synonyms: | (HONH-BAGN) N-(1-{[(4-Nitro-phenylcarbamoyl)-methyl]-carbamoyl}-ethyl)-3-oxo-4-phenyl-butyramide | CHEMBL45212 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H22N4O6 |
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| Mol. Mass. | 426.4226 |
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| SMILES | C[C@H](NC(=O)CC(=O)Cc1ccccc1)C(=O)NCC(=O)Nc1ccc(cc1)[N+]([O-])=O |
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| Structure | 
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