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Target
Prostaglandin G/H synthase 1/2
Ligand
BDBM50501722
Substrate
n/a
Meas. Tech.
ChEMBL_1666355 (CHEMBL4016151)
IC50
2900±n/a nM
Citation
 Cornec, AS; Monti, L; Kovalevich, J; Makani, V; James, MJ; Vijayendran, KG; Oukoloff, K; Yao, Y; Lee, VM; Trojanowski, JQ; Smith, AB; Brunden, KR; Ballatore, C Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer's and Other Neurodegenerative Diseases. J Med Chem 60:5120-5145 (2017) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1/2
Synonyms:
Cyclooxygenase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1666355
Components:
This complex has 2 components.
Component 1
Name:
Prostaglandin G/H synthase 2
Synonyms:
PGH2_RAT | Ptgs2 | Cox-2 | Cox2 | Cyclooxygenase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
69173.51
Organism:
Rat
Description:
COX-2 0 RAT::P35355
Residue:
604
Sequence:
MLFRAVLLCAALALSHAANPCCSNPCQNRGECMSIGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRNSIMRYVLTSRSHLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGTNMMFAFFAQHFTHQFFKTDQKRGPGFTRGLGHGVDLNHVYGETLDRQHKLRLFQDGKLKYQVIGGEVYPPTVKDTQVDMIYPPHVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWDDERLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYTFKQFLYNNSILLEHGLAHFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYHDIDAMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFRIINTASIQSLICNNVKGCPFASFNVQDPQPTKTATINASASHSRLDDINPTVLIKRRSTEL
  
Component 2
Name:
Prostaglandin G/H synthase 1
Synonyms:
Cyclooxygenase-1 | Prostaglandin G/H synthase (cyclooxygenase) | PGH1_RAT | Ptgs1 | Cox-1 | Cox1 | Cyclooxygenase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
69033.56
Organism:
Rat
Description:
COX-1 0 RAT::Q63921
Residue:
602
Sequence:
MSRRSLSLQFPLLLLLLLLPPPPVLLTDAGVPSPVNPCCYYPCQNQGVCVRFGLDHYQCDCTRTGYSGPNCTIPEIWTWLRSSLRPSPSFTHFLLTHGYWIWEFVNATFIREVLMRLVITVRSNLIPSPPTYNTAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDIHLLAQRLLLRREFIPGPQGTNVLFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDSLERQYHLRLFKDGKLKYQVLDGEVYPPSVEQASVLMRYPPGVPPEKQMAVGQEVFGLLPGLMLFSTIWLREHNRVCDLLKEEHPTWDDEQLFQTTRLILIGETIKIIIEEYVQHLSGYFLQLKFDPELLFRAQFQYRNRIALEFNHLYHWHPLMPDSFQVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQRAGRIGGGRNFDYHVLHVAEDVIKESREMRLQSFNEYRKRFGLKPYTSFQEFTGEKEMAAELEELYGDIDALEFYPGLMLEKCQPNSLFGESMIEMGAPFSLKGLLGNPICSPEYWKPSTFGGDVGFNIVNTASLKKLVCLNTKTCPYVSFRVPDYPGDDGSVFVRPSTEL
  
Inhibitor
Name:
BDBM50501722
Synonyms:
CHEMBL4083158
Type:
Small organic molecule
Emp. Form.:
C15H7Cl2F3N2
Mol. Mass.:
343.13
SMILES:
Fc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1F |(13.15,-8.82,;12.85,-10.32,;14,-11.35,;13.69,-12.86,;12.23,-13.34,;11.92,-14.85,;11.08,-12.31,;9.62,-12.8,;9.15,-14.27,;10.06,-15.52,;7.63,-14.28,;7.13,-12.82,;8.37,-11.9,;8.36,-10.36,;9.69,-9.59,;9.68,-8.05,;8.33,-7.29,;8.32,-5.75,;7,-8.08,;7.02,-9.61,;11.39,-10.81,;10.23,-9.79,)|
Structure:
Search PDB for entries with ligand similarity: