Reaction Details Report a problem with these data
Target
Nitric oxide synthase, inducible
Ligand
BDBM50278746
Substrate
n/a
Meas. Tech.
ChEMBL_564977 (CHEMBL957512)
Ki
77000±n/a nM
Citation
Lawton, GR; Ralay Ranaivo, H; Chico, LK; Ji, H; Xue, F; Martásek, P; Roman, LJ; Watterson, DM; Silverman, RB Analogues of 2-aminopyridine-based selective inhibitors of neuronal nitric oxide synthase with increased bioavailability. Bioorg Med Chem 17:2371-80 (2009) [PubMed] Article
More Info.:
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:
BDBM50278746
Synonyms:
(+/-)-cis-N-(2-(4-((6-Amino-4-methylpyridin-2-yl)-methyl)pyrrolidin-3-yloxy)ethyl)-2-(3-fluorophenyl)acetamide | CHEMBL469366
Type:
Small organic molecule
Emp. Form.:
C21H27FN4O2
Mol. Mass.:
386.4631
SMILES:
Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNC(=O)Cc2cccc(F)c2)c1 |r|