Target
Nitric oxide synthase, inducible
Ligand
BDBM50223401
Substrate
n/a
Meas. Tech.
ChEMBL_492858 (CHEMBL942189)
IC50
>50000±n/a nM
Citation
 Tsao, CCShen, YCSu, CRLi, CYLiou, MJDung, NXWu, TS New diterpenoids and the bioactivity of Erythrophleum fordii. Bioorg Med Chem 16:9867-70 (2008) [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:
BDBM50223401
Synonyms:
CHEMBL251450 | echinulin
Type:
Small organic molecule
Emp. Form.:
C29H39N3O2
Mol. Mass.:
461.6389
SMILES:
C[C@@H]1NC(=O)[C@H](Cc2c([nH]c3c(CC=C(C)C)cc(CC=C(C)C)cc23)C(C)(C)C=C)NC1=O |r,wD:5.5,1.0,(-.79,-8.24,;.19,-9.43,;1.71,-9.18,;2.69,-10.36,;4.21,-10.11,;2.15,-11.8,;3.13,-13,;2.66,-14.47,;3.58,-15.72,;2.68,-16.98,;1.2,-16.51,;-.14,-17.28,;-.14,-18.82,;-1.48,-19.59,;-1.48,-21.13,;-2.81,-21.9,;-.15,-21.9,;-1.47,-16.51,;-1.47,-14.96,;-2.81,-14.19,;-2.81,-12.65,;-4.14,-11.89,;-4.14,-10.35,;-5.47,-12.66,;-.14,-14.19,;1.19,-14.96,;5.12,-15.71,;5.12,-14.17,;5.14,-17.25,;6.66,-15.7,;7.43,-17.03,;.63,-12.07,;-.35,-10.87,;-1.87,-11.13,)|
Structure:
Search PDB for entries with ligand similarity: