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Target
Prostaglandin G/H synthase 1/2
Ligand
BDBM7962
Substrate
n/a
Meas. Tech.
ChEMBL_158266 (CHEMBL762446)
IC50
>100000±n/a nM
Citation
 Cross, PE; Dickinson, RP; Parry, MJ; Randall, MJ Selective thromboxane synthetase inhibitors. 4. 2-(1H-imidazol-1-ylmethyl) carboxylic acids of benzo[b]furan, benzo[b]thiophene, indole, and naphthalene. J Med Chem 29:1643-50 (1986) [PubMed]
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:
Cox-2 | Cox2 | Cyclooxygenase | PGH2_RAT | Ptgs2
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:
Cox-1 | Cox1 | Cyclooxygenase | Cyclooxygenase-1 | PGH1_RAT | Prostaglandin G/H synthase (cyclooxygenase) | Ptgs1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
69033.56
Organism:
RAT
Description:
COX-1 0 RAT::Q63921
Residue:
602
Sequence:
MSRRSLSLQFPLLLLLLLLPPPPVLLTDAGVPSPVNPCCYYPCQNQGVCVRFGLDHYQCDCTRTGYSGPNCTIPEIWTWLRSSLRPSPSFTHFLLTHGYWIWEFVNATFIREVLMRLVITVRSNLIPSPPTYNTAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDIHLLAQRLLLRREFIPGPQGTNVLFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDSLERQYHLRLFKDGKLKYQVLDGEVYPPSVEQASVLMRYPPGVPPEKQMAVGQEVFGLLPGLMLFSTIWLREHNRVCDLLKEEHPTWDDEQLFQTTRLILIGETIKIIIEEYVQHLSGYFLQLKFDPELLFRAQFQYRNRIALEFNHLYHWHPLMPDSFQVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQRAGRIGGGRNFDYHVLHVAEDVIKESREMRLQSFNEYRKRFGLKPYTSFQEFTGEKEMAAELEELYGDIDALEFYPGLMLEKCQPNSLFGESMIEMGAPFSLKGLLGNPICSPEYWKPSTFGGDVGFNIVNTASLKKLVCLNTKTCPYVSFRVPDYPGDDGSVFVRPSTEL
  
Inhibitor
Name:
BDBM7962
Synonyms:
4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochloride | 4-(2-imidazol-1-yl-ethoxy)-benzoic acid | 4-[2-(1H-imidazol-1-yl)ethoxy]benzoic acid | CHEMBL267473 | CHEMBL537708 | Imidazole N-1 deriv. 13 | dazoxiben
Type:
Small organic molecule
Emp. Form.:
C12H12N2O3
Mol. Mass.:
232.2353
SMILES:
OC(=O)c1ccc(OCCn2ccnc2)cc1
Structure:
Search PDB for entries with ligand similarity: