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TargetTetanus toxin
LigandBDBM50073677
Substrate/Competitorn/a
Meas. Tech.ChEMBL_210251 (CHEMBL809278)
Ki 90000±n/a nM
Citation Martin, LCornille, FTurcaud, SMeudal, HRoques, BPFournié-Zaluski, MC Metallopeptidase inhibitors of tetanus toxin: A combinatorial approach. J Med Chem42:515-25 (1999) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Tetanus toxin
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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  Blast E-value cutoff:
BDBM50073677
n/a
NameBDBM50073677
Synonyms:N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoyl]-L-phenylalanyl-L-glutamic Acid
TypeSmall organic molecule
Emp. Form.C20H29N4O8S
Mol. Mass.485.531
SMILESNOC(=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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