Target
CAI-1 autoinducer sensor kinase/phosphatase CqsS
Ligand
BDBM50358411
Substrate
n/a
Meas. Tech.
ChEMBL_789525 (CHEMBL1924552)
EC50
1610±n/a nM
Citation
 Bolitho, MEPerez, LJKoch, MJNg, WLBassler, BLSemmelhack, 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:
BDBM50358411
Synonyms:
CHEMBL1922851
Type:
Small organic molecule
Emp. Form.:
C12H24O2
Mol. Mass.:
200.3178
SMILES:
CCCCCCCCC(=O)[C@H](O)CC |r|
Structure:
Search PDB for entries with ligand similarity: