| Reaction Details |
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 | Report a problem with these data |
| Target | Thermolysin |
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| Ligand | BDBM50396787 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_864915 (CHEMBL2175865) |
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| Ki | 472±n/a nM |
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| Citation |  Nasief, NN; Tan, H; Kong, J; Hangauer, D Water mediated ligand functional group cooperativity: the contribution of a methyl group to binding affinity is enhanced by a COO(-) group through changes in the structure and thermodynamics of the hydration waters of ligand-thermolysin complexes. J Med Chem55:8283-302 (2012) [PubMed] Article |
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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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| BDBM50396787 |
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| n/a |
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| Name | BDBM50396787 |
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| Synonyms: | CHEMBL2172737 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H24N3O7P |
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| Mol. Mass. | 413.3632 |
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| SMILES | CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC([O-])=O |r| |
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| Structure | 
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