Reaction Details Report a problem with these data
Target
IgA-specific serine endopeptidase autotransporter
Ligand
BDBM50367748
Substrate
n/a
Meas. Tech.
ChEBML_88881
IC50
9350000±n/a nM
Citation
 Burton, J; Wood, SG; Lynch, M; Plaut, AG Substrate analogue inhibitors of the IgA1 proteinases from Neisseria gonorrhoeae. J Med Chem 31:1647-51 (1988) [PubMed]  Article 
Target
Name:
IgA-specific serine endopeptidase autotransporter
Synonyms:
IGA_NEIGO | IgA protease | iga
Type:
PROTEIN
Mol. Mass.:
169014.39
Organism:
Neisseria gonorrhoeae
Description:
ChEMBL_88881
Residue:
1532
Sequence:
MKAKRFKINAISLSIFLAYALTPYSEAALVRDDVDYQIFRDFAENKGKFFVGATDLSVKNKRGQNIGNALSNVPMIDFSVADVNKRIATVVDPQYAVSVKHAKAEVHTFYYGQYNGHNDVADKENEYRVVEQNNYEPHKAWGASNLGRLEDYNMARFNKFVTEVAPIAPTDAGGGLDTYKDKNRFSSFVRIGAGRQLVYEKGVYHQEGNEKGYDLRDLSQAYRYAIAGTPYKDINIDQTMNTEGLIGFGNHNKQYSAEELKQALSQDALTNYGVLGDSGSPLFAFDKQKNQWVFLGTYDYWAGYGKKSWQEWNIYKKEFADKIKQHDNAGTVKGNGEHHWKTTGTNSHIGSTAVRLANNEGDANNGQNVTFEDNGTLVLNQNINQGAGGLFFKGDYTVKGANNDITWLGAGIDVADGKKVVWQVKNPNGDRLAKIGKGTLEINGTGVNQGQLKVGDGTVILNQKADADKKVQAFSQVGIVSGRGTLVLNSSNQINPDNLYFGFRGGRLDANGNDLTFEHIRNVDEGARIVNHNTDHASTITLTGKSLITNPNSLSVHSIQNDYDEDDYSYYYRPRRPIPQGKDLYYKNYRYYALKSGGRLNAPMPENGVAENNDWIFMGYTQEEARKNAMNHKNNRRIGDFGGFFDEENGKGHNGALNLNFNGKSAQKRFLLTGGANLNGKISVTQGNVLLSGRPTPHARDFVNKSSARKDAHFSKNNEVVFEDDWINRTFKAAEIAVNQSASFSSGRNVSDITANITATDNAKVNLGYKNGDEVCVRSDYTGYVTCNTGNLSDKALNSFDATRINGNVNLNQNAALVLGKAALWGKIQGQGNSRVSLNQHSKWHLTGDSQVHNLSLADSHIHLNNASDAQSANKYHTIKINHLSGNGHFHYLTDLAKNLGDKVLVKESASGHYQLHVQNKTGEPNQEGLDLFDASSVQDRSRLFVSLANHYVDLGALRYTIKTENGITRLYNPYAGNGRPVKPAPSPAANTASQAQKATQTDGAQIAKPQNIVVAPPSPQANQAEEALRQQAKAEQVKRQQAAEAEKVARQKDEEAKRKAAEIARQQEEARKAAELAAKQKAEAERKARELARQKAEEASHQANAKPKRRRRRAILPRPPAPVFSLDDYDAKDNSESSIGNLARVIPRMGRELINDYEEIPLEELEDEAEEERRQATQFHSKSRNRRAISSEPSSDEDASESVSTSDKHPQDNTELHEKVETAGLQPRAAQPRTQAAAQADAVSTNTNSALSDAMASTQSILLDTGAYLTRHIAQKSRADAEKNSVWMSNTGYGRDYASAQYRRFSSKRTQTQIGIDRSLSENMQIGGVLTYSDSQHTFDQAGGKNTFVQANLYGKYYLNDAWYVAGDIGAGSLRSRLQTQQKANFNRTSIQTGLTLGNTLKINQFEIVPSAGIRYSRLSSADYKLGDDSVKVSSMAVKTLTAGLDFAYRFKVGNLTVKPLLSAAYFANYGKGGVNVGGKSFAYKADNQQQYSAGVALLYRNVTLNVNGSITKGKQLEKQKSGQIKIQIRF
  
Inhibitor
Name:
BDBM50367748
Synonyms:
CHEMBL2369568
Type:
Small organic molecule
Emp. Form.:
C36H57N9O13
Mol. Mass.:
823.8903
SMILES:
C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Structure:
Search PDB for entries with ligand similarity: