Reaction Details Report a problem with these data
Target
IgA-specific serine endopeptidase autotransporter
Ligand
BDBM50016727
Substrate
n/a
Meas. Tech.
ChEBML_88880
IC50
>1000±n/a nM
Citation
 Wood, SG; Lynch, M; Plaut, AG; Burton, J Tetrapeptide inhibitors of the IgA1 proteinases from type I Neisseria gonorrhoeae. J Med Chem 32:2407-11 (1989) [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:
BDBM50016727
Synonyms:
1-(2-{[1-(1-Acetyl-pyrrolidine-2-carbonyl)-pyrrolidine-2-carbonyl]-amino}-3-hydroxy-butyryl)-pyrrolidine-2-carboxylic acid | CHEMBL309240
Type:
Small organic molecule
Emp. Form.:
C21H32N4O7
Mol. Mass.:
452.5014
SMILES:
C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(O)=O
Structure:
Search PDB for entries with ligand similarity: