| Reaction Details |
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 | Report a problem with these data |
| Target | Tetanus toxin |
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| Ligand | BDBM50073673 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_210251 (CHEMBL809278) |
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| Ki | 80000±n/a nM |
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| Citation |  Martin, L; Cornille, F; Turcaud, S; Meudal, H; Roques, BP; Fournié-Zaluski, MC Metallopeptidase inhibitors of tetanus toxin: A combinatorial approach. J Med Chem42:515-25 (1999) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Tetanus toxin |
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| Name: | Tetanus toxin |
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| Synonyms: | TETX_CLOTE | Tentoxylysin | Tetanus toxin chain H | Tetanus toxin chain L | Tetanus toxin heavy chain | Tetanus toxin light chain | tetX |
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| Type: | PROTEIN |
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| Mol. Mass.: | 150674.51 |
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| Organism: | Clostridium tetani |
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| Description: | ChEMBL_210251 |
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| Residue: | 1315 |
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| Sequence: | MPITINNFRYSDPVNNDTIIMMEPPYCKGLDIYYKAFKITDRIWIVPERYEFGTKPEDFN
PPSSLIEGASEYYDPNYLRTDSDKDRFLQTMVKLFNRIKNNVAGEALLDKIINAIPYLGN
SYSLLDKFDTNSNSVSFNLLEQDPSGATTKSAMLTNLIIFGPGPVLNKNEVRGIVLRVDN
KNYFPCRDGFGSIMQMAFCPEYVPTFDNVIENITSLTIGKSKYFQDPALLLMHELIHVLH
GLYGMQVSSHEIIPSKQEIYMQHTYPISAEELFTFGGQDANLISIDIKNDLYEKTLNDYK
AIANKLSQVTSCNDPNIDIDSYKQIYQQKYQFDKDSNGQYIVNEDKFQILYNSIMYGFTE
IELGKKFNIKTRLSYFSMNHDPVKIPNLLDDTIYNDTEGFNIESKDLKSEYKGQNMRVNT
NAFRNVDGSGLVSKLIGLCKKIIPPTNIRENLYNRTASLTDLGGELCIKIKNEDLTFIAE
KNSFSEEPFQDEIVSYNTKNKPLNFNYSLDKIIVDYNLQSKITLPNDRTTPVTKGIPYAP
EYKSNAASTIEIHNIDDNTIYQYLYAQKSPTTLQRITMTNSVDDALINSTKIYSYFPSVI
SKVNQGAQGILFLQWVRDIIDDFTNESSQKTTIDKISDVSTIVPYIGPALNIVKQGYEGN
FIGALETTGVVLLLEYIPEITLPVIAALSIAESSTQKEKIIKTIDNFLEKRYEKWIEVYK
LVKAKWLGTVNTQFQKRSYQMYRSLEYQVDAIKKIIDYEYKIYSGPDKEQIADEINNLKN
KLEEKANKAMININIFMRESSRSFLVNQMINEAKKQLLEFDTQSKNILMQYIKANSKFIG
ITELKKLESKINKVFSTPIPFSYSKNLDCWVDNEEDIDVILKKSTILNLDINNDIISDIS
GFNSSVITYPDAQLVPGINGKAIHLVNNESSEVIVHKAMDIEYNDMFNNFTVSFWLRVPK
VSASHLEQYGTNEYSIISSMKKHSLSIGSGWSVSLKGNNLIWTLKDSAGEVRQITFRDLP
DKFNAYLANKWVFITITNDRLSSANLYINGVLMGSAEITGLGAIREDNNITLKLDRCNNN
NQYVSIDKFRIFCKALNPKEIEKLYTSYLSITFLRDFWGNPLRYDTEYYLIPVASSSKDV
QLKNITDYMYLTNAPSYTNGKLNIYYRRLYNGLKFIIKRYTPNNEIDSFVKSGDFIKLYV
SYNNNEHIVGYPKDGNAFNNLDRILRVGYNAPGIPLYKKMEAVKLRDLKTYSVQLKLYDD
KNASLGLVGTHNGQIGNDPNRDILIASNWYFNHLKDKILGCDWYFVPTDEGWTND
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| BDBM50073673 |
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| n/a |
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| Name | BDBM50073673 |
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| Synonyms: | N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoyl]-L-phenylalanyl-L-glutamyl-L-threonyl-L-serine |
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| Type | Small organic molecule |
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| Emp. Form. | C27H41N6O12S |
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| Mol. Mass. | 673.712 |
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| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(S)[C@@H]([NH3+])CCC(=O)ON)C(=O)N[C@@H](CO)C(O)=O |
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| Structure | 
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