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TargetCyclooxygenase
LigandBDBM50148911
Substrate/Competitorn/a
Meas. Tech.ChEMBL_484506
IC50 86000±n/a nM
Citation Huss URingbom TPerera PBohlin LVasänge M Screening of ubiquitous plant constituents for COX-2 inhibition with a scintillation proximity based assay. J Nat Prod 65:1517-21 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Cyclooxygenase
Name:Prostaglandin E synthase/G/H synthase 2
Synonyms:Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGHS-2 | PHS II | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2
Type:Enzyme
Mol. Mass.:69003.89
Organism:Homo sapiens (Human)
Description:Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI).
Residue:604
Sequence:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50148911
n/a
NameBDBM50148911
Synonyms:(3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hydroxyurs-12-en-28-oic acid | CHEMBL169 | Ursolic acid | malol | prunol | urson
TypeSmall organic molecule
Emp. Form.C30H48O3
Mol. Mass.456.7003
SMILESC[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Structure
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