| Reaction Details |
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 | Report a problem with these data |
| Target | Thermolysin |
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| Ligand | BDBM50038066 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_210406 (CHEMBL814135) |
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| Kd | 1230±n/a nM |
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| Citation |  Ishchenko, AV; Shakhnovich, EI SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions. J Med Chem45:2770-80 (2002) [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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| BDBM50038066 |
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| n/a |
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| Name | BDBM50038066 |
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| Synonyms: | (S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-indol-3-yl)-propionic acid | 2-((S)-2-Amino-3-methyl-butyrylamino)-3-(S)-1H-indol-3-yl-propionic acid | CHEMBL91777 | Val-Trp |
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| Type | Small organic molecule |
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| Emp. Form. | C16H21N3O3 |
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| Mol. Mass. | 303.3562 |
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| SMILES | CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |
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| Structure | 
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