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Target
Tetanus toxin
Ligand
BDBM50073677
Substrate
n/a
Meas. Tech.
ChEMBL_210251 (CHEMBL809278)
Ki
90000±n/a nM
Citation
 Martin, L; Cornille, F; Turcaud, S; Meudal, H; Roques, BP; Fournié-Zaluski, MC Metallopeptidase inhibitors of tetanus toxin: A combinatorial approach. J Med Chem 42:515-25 (1999) [PubMed]  Article 
Target
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:
MPITINNFRYSDPVNNDTIIMMEPPYCKGLDIYYKAFKITDRIWIVPERYEFGTKPEDFNPPSSLIEGASEYYDPNYLRTDSDKDRFLQTMVKLFNRIKNNVAGEALLDKIINAIPYLGNSYSLLDKFDTNSNSVSFNLLEQDPSGATTKSAMLTNLIIFGPGPVLNKNEVRGIVLRVDNKNYFPCRDGFGSIMQMAFCPEYVPTFDNVIENITSLTIGKSKYFQDPALLLMHELIHVLHGLYGMQVSSHEIIPSKQEIYMQHTYPISAEELFTFGGQDANLISIDIKNDLYEKTLNDYKAIANKLSQVTSCNDPNIDIDSYKQIYQQKYQFDKDSNGQYIVNEDKFQILYNSIMYGFTEIELGKKFNIKTRLSYFSMNHDPVKIPNLLDDTIYNDTEGFNIESKDLKSEYKGQNMRVNTNAFRNVDGSGLVSKLIGLCKKIIPPTNIRENLYNRTASLTDLGGELCIKIKNEDLTFIAEKNSFSEEPFQDEIVSYNTKNKPLNFNYSLDKIIVDYNLQSKITLPNDRTTPVTKGIPYAPEYKSNAASTIEIHNIDDNTIYQYLYAQKSPTTLQRITMTNSVDDALINSTKIYSYFPSVISKVNQGAQGILFLQWVRDIIDDFTNESSQKTTIDKISDVSTIVPYIGPALNIVKQGYEGNFIGALETTGVVLLLEYIPEITLPVIAALSIAESSTQKEKIIKTIDNFLEKRYEKWIEVYKLVKAKWLGTVNTQFQKRSYQMYRSLEYQVDAIKKIIDYEYKIYSGPDKEQIADEINNLKNKLEEKANKAMININIFMRESSRSFLVNQMINEAKKQLLEFDTQSKNILMQYIKANSKFIGITELKKLESKINKVFSTPIPFSYSKNLDCWVDNEEDIDVILKKSTILNLDINNDIISDISGFNSSVITYPDAQLVPGINGKAIHLVNNESSEVIVHKAMDIEYNDMFNNFTVSFWLRVPKVSASHLEQYGTNEYSIISSMKKHSLSIGSGWSVSLKGNNLIWTLKDSAGEVRQITFRDLPDKFNAYLANKWVFITITNDRLSSANLYINGVLMGSAEITGLGAIREDNNITLKLDRCNNNNQYVSIDKFRIFCKALNPKEIEKLYTSYLSITFLRDFWGNPLRYDTEYYLIPVASSSKDVQLKNITDYMYLTNAPSYTNGKLNIYYRRLYNGLKFIIKRYTPNNEIDSFVKSGDFIKLYVSYNNNEHIVGYPKDGNAFNNLDRILRVGYNAPGIPLYKKMEAVKLRDLKTYSVQLKLYDDKNASLGLVGTHNGQIGNDPNRDILIASNWYFNHLKDKILGCDWYFVPTDEGWTND
  
Inhibitor
Name:
BDBM50073677
Synonyms:
N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoyl]-L-phenylalanyl-L-glutamic Acid
Type:
Small organic molecule
Emp. Form.:
C20H29N4O8S
Mol. Mass.:
485.531
SMILES:
NOC(=O)CC[C@H]([NH3+])C(S)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Structure:
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