Reaction Details  Report a problem with these data
Target
Nitric oxide synthase, inducible
Ligand
BDBM23926
Substrate
n/a
Meas. Tech.
ChEMBL_887010 (CHEMBL2213350)
IC50
23200±n/a nM
Citation
 Mayhoub, AS; Marler, L; Kondratyuk, TP; Park, EJ; Pezzuto, JM; Cushman, M Optimization of thiazole analogues of resveratrol for induction of NAD(P)H:quinone reductase 1 (QR1). Bioorg Med Chem 20:7030-9 (2012) [PubMed]  Article
Target
Name:
Nitric oxide synthase, inducible
Synonyms:
Inducible NO synthase | Inducible NOS | Inducible nitric oxide synthase (iNOS) | Inosl | MAC-NOS | Macrophage NOS | NOS type II | NOS2_MOUSE | Nitric Oxide Synthase, inducible | Nitric oxide synthase, inducible (iNOS) | Nos2
Type:
Enzyme
Mol. Mass.:
130595.79
Organism:
Mus musculus (mouse)
Description:
Recombinant enzyme overexpressed in E. coli.
Residue:
1144
Sequence:
MACPWKFLFKVKSYQSDLKEEKDINNNVKKTPCAVLSPTIQDDPKSHQNGSPQLLTGTAQNVPESLDKLHVTSTRPQYVRIKNWGSGEILHDTLHHKATSDFTCKSKSCLGSIMNPKSLTRGPRDKPTPLEELLPHAIEFINQYYGSFKEAKIEEHLARLEAVTKEIETTGTYQLTLDELIFATKMAWRNAPRCIGRIQWSNLQVFDARNCSTAQEMFQHICRHILYATNNGNIRSAITVFPQRSDGKHDFRLWNSQLIRYAGYQMPDGTIRGDAATLEFTQLCIDLGWKPRYGRFDVLPLVLQADGQDPEVFEIPPDLVLEVTMEHPKYEWFQELGLKWYALPAVANMLLEVGGLEFPACPFNGWYMGTEIGVRDFCDTQRYNILEEVGRRMGLETHTLASLWKDRAVTEINVAVLHSFQKQNVTIMDHHTASESFMKHMQNEYRARGGCPADWIWLVPPVSGSITPVFHQEMLNYVLSPFYYYQIEPWKTHIWQNEKLRPRRREIRFRVLVKVVFFASMLMRKVMASRVRATVLFATETGKSEALARDLATLFSYAFNTKVVCMDQYKASTLEEEQLLLVVTSTFGNGDCPSNGQTLKKSLFMLRELNHTFRYAVFGLGSSMYPQFCAFAHDIDQKLSHLGASQLAPTGEGDELSGQEDAFRSWAVQTFRAACETFDVRSKHHIQIPKRFTSNATWEPQQYRLIQSPEPLDLNRALSSIHAKNVFTMRLKSQQNLQSEKSSRTTLLVQLTFEGSRGPSYLPGEHLGIFPGNQTALVQGILERVVDCPTPHQTVCLEVLDESGSYWVKDKRLPPCSLSQALTYFLDITTPPTQLQLHKLARFATDETDRQRLEALCQPSEYNDWKFSNNPTFLEVLEEFPSLHVPAAFLLSQLPILKPRYYSISSSQDHTPSEVHLTVAVVTYRTRDGQGPLHHGVCSTWIRNLKPQDPVPCFVRSVSGFQLPEDPSQPCILIGPGTGIAPFRSFWQQRLHDSQHKGLKGGRMSLVFGCRHPEEDHLYQEEMQEMVRKRVLFQVHTGYSRLPGKPKVYVQDILQKQLANEVLSVLHGEQGHLYICGDVRMARDVATTLKKLVATKLNLSEEQVEDYFFQLKSQKRYHEDIFGAVFSYGAKKGSALEEPKATRL
  
Inhibitor
Name:
BDBM23926
Synonyms:
(E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | CHEMBL165 | Resveratol | Stilbene, 2f | US11866416, Example 7 | cid_445154 | resveratrol | trans-resveratrol
Type:
Small organic molecule
Emp. Form.:
C14H12O3
Mol. Mass.:
228.2433
SMILES:
Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Structure:
Search PDB for entries with ligand similarity: