Reaction Details Report a problem with these data
Target
Arachidonate 12-lipoxygenase, 12R-type
Ligand
BDBM86091
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
8±0
Temperature
298.15±0 K
IC50
4.19e+4± 4e+1 nM
Citation
 Ahmad, I; Chen, S; Peng, Y; Chen, S; Xu, L Lipoxygenase inhibiting and antioxidant iridoids from Buddleja crispa. J Enzyme Inhib Med Chem 23:140-3 (2008) [PubMed]  Article 
Target
Name:
Arachidonate 12-lipoxygenase, 12R-type
Synonyms:
ALOX12B | LX12B_HUMAN | Lipoxygenase
Type:
Enzyme
Mol. Mass.:
80366.80
Organism:
Homo sapiens (Human)
Description:
O75342
Residue:
701
Sequence:
MATYKVRVATGTDLLSGTRDSISLTIVGTQGESHKQLLNHFGRDFATGAVGQYTVQCPQDLGELIIIRLHKERYAFFPKDPWYCNYVQICAPNGRIYHFPAYQWMDGYETLALREATGKTTADDSLPVLLEHRKEEIRAKQDFYHWRVFLPGLPSYVHIPSYRPPVRRHRNPNRPEWNGYIPGFPILINFKATKFLNLNLRYSFLKTASFFVRLGPMALAFKVRGLLDCKHSWKRLKDIRKIFPGKKSVVSEYVAEHWAEDTFFGYQYLNGVNPGLIRRCTRIPDKFPVTDDMVAPFLGEGTCLQAELEKGNIYLADYRIMEGIPTVELSGRKQHHCAPLCLLHFGPEGKMMPIAIQLSQTPGPDCPIFLPSDSEWDWLLAKTWVRYAEFYSHEAIAHLLETHLIAEAFCLALLRNLPMCHPLYKLLIPHTRYTVQINSIGRAVLLNEGGLSAKGMSLGVEGFAGVMVRALSELTYDSLYLPNDFVERGVQDLPGYYYRDDSLAVWNALEKYVTEIITYYYPSDAAVEGDPELQSWVQEIFKECLLGRESSGFPRCLRTVPELIRYVTIVIYTCSAKHAAVNTGQMEFTAWMPNFPASMRNPPIQTKGLTTLETFMDTLPDVKTTCITLLVLWTLSREPDDRRPLGHFPDIHFVEEAPRRSIEAFRQRLNQISHDIRQRNKCLPIPYYYLDPVLIENSISI
  
Inhibitor
Name:
BDBM86091
Synonyms:
Buddlejoside A2, 6
Type:
Small organic molecule
Emp. Form.:
C33H42O16
Mol. Mass.:
694.677
SMILES:
COc1ccc(\C=C\C(=O)OC2C(C)OC(O[C@@H]3C=C(CO)C4C3C=CO[C@H]4OC3OC(CO)C(O)C(O)C3O)C(OC(C)=O)C2O)cc1 |r,c:25,t:18|
Structure:
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