Reaction Details |
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Target | Tetanus toxin |
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Ligand | BDBM50073674 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_210251 (CHEMBL809278) |
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Ki | 15000±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 |
Synonyms: | TETX_CLOTE | Tentoxylysin | Tetanus toxin chain H | Tetanus toxin chain L | Tetanus toxin heavy chain | Tetanus toxin light chain | tetX |
Type: | PROTEIN |
Mol. Mass.: | 150674.51 |
Organism: | Clostridium tetani |
Description: | ChEMBL_210251 |
Residue: | 1315 |
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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BDBM50073674 |
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n/a |
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Name | BDBM50073674 |
Synonyms: | (S)-1-{(S)-[(S)-1-[(S)-1-Carboxy-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-mercapto-methyl}-3-sulfamoyl-propyl-ammonium |
Type | Small organic molecule |
Emp. Form. | C20H29N6O7S2 |
Mol. Mass. | 529.61 |
SMILES | NS(=O)(=O)CC[C@H]([NH3+])[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |
Structure |
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