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Target
Nitric oxide synthase, inducible
Ligand
BDBM50438534
Substrate
n/a
Meas. Tech.
ChEMBL_976228 (CHEMBL2415113)
IC50
13200±n/a nM
Citation
 Schulz, U; Grossmann, A; Witetschek, M; Lemmerhirt, C; Polzin, M; Haertel, B; Wanka, H; Morgenstern, O Investigations on synthesis and structure elucidation of novel [1,2,4]triazolo[1,2-a]pyridazine-1-thiones and their inhibitory activity against inducible nitric oxide synthase. Bioorg Med Chem 21:5518-31 (2013) [PubMed]  Article 
Target
Name:
Nitric oxide synthase, inducible
Synonyms:
NOS2_RAT | Nos2
Type:
PROTEIN
Mol. Mass.:
130642.55
Organism:
Rattus norvegicus
Description:
ChEMBL_976228
Residue:
1147
Sequence:
MACPWKFLFRVKSYQGDLKEEKDINNNVEKTPGAIPSPTTQDDPKSHKHQNGFPQFLTGTAQNVPESLDKLHVTPSTRPQHVRIKNWGNGEIFHDTLHHKATSDISCKSKLCMGSIMNSKSLTRGPRDKPTPVEELLPQAIEFINQYYGSFKEAKIEEHLARLEAVTKEIETTGTYQLTLDELIFATKMAWRNAPRCIGRIQWSNLQVFDARSCSTASEMFQHICRHILYATNSGNIRSAITVFPQRSDGKHDFRIWNSQLIRYAGYQMPDGTIRGDPATLEFTQLCIDLGWKPRYGRFDVLPLVLQAHGQDPEVFEIPPDLVLEVTMEHPKYEWFQELGLKWYALPAVANMLLEVGGLEFPACPFNGWYMGTEIGVRDFCDTQRYNILEEVGRRMGLETHTLASLWKDRAVTEINAAVLHSFQKQNVTIMDHHTASESFMKHMQNEYRARGGCPADWIWLVPPVSGSITPVFHQEMLNYVLSPFYYYQIEPWKTHIWQDEKLRPRRREIRFTVLVKAVFFASVLMRKVMASRVRATVLFATETGKSEALARDLAALFSYAFNTKVVCMEQYKANTLEEEQLLLVVTSTFGNGDCPSNGQTLKKSLFMMKELGHTFRYAVFGLGSSMYPQFCAFAHDIDQKLSHLGASQLAPTGEGDELSGQEDAFRSWAVQTFRAACETFDVRSKHCIQIPKRYTSNATWEPEQYKLTQSPESLDLNKALSSIHAKNVFTMRLKSLQNLQSEKSSRTTLLVQLTFEGSRGPSYLPGEHLGIFPGNQTALVQGILERVVDCSSPDQTVCLEVLDESGSYWVKDKRLPPCSLRQALTYFLDITTPPTQLQLHKLARFATEETHRQRLEALCQPSEYNDWKFSNNPTFLEVLEEFPSLRVPAAFLLSQLPILKPRYYSISSSQDHTPSEVHLTVAVVTYRTRDGQGPLHHGVCSTWINNLKPEDPVPCFVRSVSGFQLPEDPSQPCILIGPGTGIAPFRSFWQQRLHDSQHRGLKGGRMTLVFGCRHPEEDHLYQEEMQEMVRKGVLFQVHTGYSRLPGKPKVYVQDILQKELADEVFSVLHGEQGHLYVCGDVRMARDVATTLKKLVAAKLNLSEEQVEDYFFQLKSQKRYHEDIFGAVFSYGAKKGNTLEEPKGTRL
  
Inhibitor
Name:
BDBM50438534
Synonyms:
CHEMBL2414846
Type:
Small organic molecule
Emp. Form.:
C12H14N4O2S
Mol. Mass.:
278.33
SMILES:
[O-][N+](=O)c1ccc(cc1)C1NC(=S)N2CCCCN12
Structure:
Search PDB for entries with ligand similarity: