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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50132104
Substrate
n/a
Meas. Tech.
ChEMBL_2075257 (CHEMBL4730791)
IC50
>4000±n/a nM
Citation
 Uddin, MJ; Xu, S; Crews, BC; Aleem, AM; Ghebreselasie, K; Banerjee, S; Marnett, LJ Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors. ACS Med Chem Lett 11:1881-1885 (2020) [PubMed]  Article
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
Cox-2 | Cox2 | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2) | Glucocorticoid-regulated inflammatory cyclooxygenase | Gripghs | Macrophage activation-associated marker protein P71/73 | PES-2 | PGH synthase 2 | PGH2_MOUSE | PGHS-2 | PHS II | Pghs-b | Prostaglandin G/H synthase (cyclooxygenase) | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 | Ptgs2 | TIS10 protein | Tis10
Type:
Protein
Mol. Mass.:
69020.39
Organism:
Mus musculus (Mouse)
Description:
Q05769
Residue:
604
Sequence:
MLFRAVLLCAALGLSQAANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFNVQDPQPTKTATINASASHSRLDDINPTVLIKRRSTEL
  
Inhibitor
Name:
BDBM50132104
Synonyms:
6-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline | 6-methoxy-harmalan | CHEMBL338115
Type:
Small organic molecule
Emp. Form.:
C13H14N2O
Mol. Mass.:
214.2631
SMILES:
COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
Structure:
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