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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50019159
Substrate
n/a
Meas. Tech.
ChEMBL_1362172 (CHEMBL3295181)
IC50
>10000±n/a nM
Citation
 Verhoff, M; Seitz, S; Paul, M; Noha, SM; Jauch, J; Schuster, D; Werz, O Tetra- and pentacyclic triterpene acids from the ancient anti-inflammatory remedy frankincense as inhibitors of microsomal prostaglandin E(2) synthase-1. J Nat Prod 77:1445-51 (2014) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68868.60
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
600
Sequence:
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRRFLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
  
Inhibitor
Name:
BDBM50019159
Synonyms:
CHEMBL3289099
Type:
Small organic molecule
Emp. Form.:
C30H48O3
Mol. Mass.:
456.7003
SMILES:
[H][C@]1([#6]-[#6][C@]2([#6])[#6]3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@@]12[#6])[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,t:6|
Structure:
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