Reaction Details Report a problem with these data
Target
CAI-1 autoinducer sensor kinase/phosphatase CqsS
Ligand
BDBM50358400
Substrate
n/a
Meas. Tech.
ChEMBL_789525 (CHEMBL1924552)
EC50
>50000±n/a nM
Citation
 Bolitho, ME; Perez, LJ; Koch, MJ; Ng, WL; Bassler, BL; Semmelhack, MF Small molecule probes of the receptor binding site in the Vibrio cholerae CAI-1 quorum sensing circuit. Bioorg Med Chem 19:6906-18 (2011) [PubMed]  Article 
Target
Name:
CAI-1 autoinducer sensor kinase/phosphatase CqsS
Synonyms:
CQSS_VIBCH | Cholerae quorum-sensing sensor | cqsS
Type:
PROTEIN
Mol. Mass.:
78371.16
Organism:
Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
Description:
ChEMBL_789528
Residue:
686
Sequence:
MIVSMDVIKRVYQYAEPNLSLVGWMGMLGFPAYYFIWEYWFPQSYENLGLRCAAAVLFGGLVFRDSMPKKWQRYMPGYFLFTIGFCLPFFFAFMMLMNDWSTIWAMSFMASIFLHILLVHDTRVMALQALFSVLVAYLAVYGLTDFHPTTLIEWQYIPIFLFTYVFGNLCFFRNQISHETKVSIAKTFGAGIAHEMRNPLSALKTSIDVVRTMIPKPQTAAHTDYSLDAQELDLLHQILNEADDVIYSGNNAIDLLLTSIDENRVSPASFKKHSVVDVIEKAVKTFPYKNAADQHSVELEVHQPFDFFGSDTLLTYALFNLLKNAFYYQKEHFSVCISIEQTSEHNLIRVRDNGVGIAPEMLEDIFRDFYTFGKNGSYGLGLPFCRKVMSAFGGTIRCASQQGQWTEFVLSFPRYDSDTVNEIKTELLKTKSLIYIGSNQAIVRELNQLAVEDEFGFTAISAQQAVRRQDYEFEFDLILLDLDDATAQGELLPKLEGTLSFAEGCIGYVYDPGKTYAVNINRYLRIQPISIHSILRKPRKIIERLLFEQESLSMNRNVIPLQKSRHERRILVVDDNQSIRTFTAILLEQQGYEVVQANDGSEVLKHMESQNIDLVLMDIEMPNVGGLEATRLIRNSEHEYKNIPIIGYTGDNSPKTLALVQTSGMNDFIVKPADRDVLLNKVAAWV
  
Inhibitor
Name:
BDBM50358400
Synonyms:
CHEMBL1922862
Type:
Small organic molecule
Emp. Form.:
C13H26O
Mol. Mass.:
198.3449
SMILES:
CCCCCCCCCCC(=O)CC
Structure:
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