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Target
Nitric oxide synthase, inducible
Ligand
BDBM50226527
Substrate
n/a
Meas. Tech.
ChEMBL_1503718 (CHEMBL3592389)
IC50
100±n/a nM
Citation
 Maccallini, C; Montagnani, M; Paciotti, R; Ammazzalorso, A; De Filippis, B; Di Matteo, M; Di Silvestre, S; Fantacuzzi, M; Giampietro, L; Potenza, MA; Re, N; Pandolfi, A; Amoroso, R Selective Acetamidine-Based Nitric Oxide Synthase Inhibitors: Synthesis, Docking, and Biological Studies. ACS Med Chem Lett 6:635-40 (2015) [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:
BDBM50226527
Synonyms:
CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | N-(3-(aminomethyl)benzyl)acetimidamide | N-(3-Aminomethyl-benzyl)-acetamidine | N-(3-aminomethyl)benzylacetimidamide | N-[3-(aminomethyl)benzyl]ethanimidamide | N-[[3-(aminomethyl)phenyl]methyl]-ethanimidamide | [N-(3-aminomethyl)benzylactamidine]
Type:
Small organic molecule
Emp. Form.:
C10H15N3
Mol. Mass.:
177.2462
SMILES:
CC(N)=NCc1cccc(CN)c1 |w:3.3|
Structure:
Search PDB for entries with ligand similarity: