Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50292593
Substrate
n/a
Meas. Tech.
ChEMBL_524793 (CHEMBL969191)
IC50
5.11E6±n/a nM
Citation
 Yoshikawa, K; Inoue, M; Matsumoto, Y; Sakakibara, C; Miyataka, H; Matsumoto, H; Arihara, S Lanostane triterpenoids and triterpene glycosides from the fruit body of Fomitopsis pinicola and their inhibitory activity against COX-1 and COX-2. J Nat Prod 68:69-73 (2005) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | COX1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68868.60
Organism:
Sheep
Description:
n/a
Residue:
600
Sequence:
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRRFLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
  
Inhibitor
Name:
BDBM50292593
Synonyms:
3-oxolanosta-8,24-dien-21-oic acid 21-O-beta-D-xylopyranoside | CHEMBL510510
Type:
Small organic molecule
Emp. Form.:
C35 H54 O7
Mol. Mass.:
586.79905
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@H](-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@@H]1-[#6]-[#6]-3)-[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r,c:12|
Structure:
Search PDB for entries with ligand similarity: