Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNitric oxide synthase, inducible
LigandBDBM50353027
Substrate/Competitorn/a
Meas. Tech.ChEMBL_766298 (CHEMBL1826230)
IC50 16400±n/a nM
Citation Huang, YTChang, HSWang, GJCheng, MJChen, CHYang, YJChen, IS Anti-inflammatory endiandric acid analogues from the roots of Beilschmiedia tsangii. J Nat Prod74:1875-80 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Nitric oxide synthase, inducible
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:
MACPWKFLFKVKSYQSDLKEEKDINNNVKKTPCAVLSPTIQDDPKSHQNGSPQLLTGTAQ
NVPESLDKLHVTSTRPQYVRIKNWGSGEILHDTLHHKATSDFTCKSKSCLGSIMNPKSLT
RGPRDKPTPLEELLPHAIEFINQYYGSFKEAKIEEHLARLEAVTKEIETTGTYQLTLDEL
IFATKMAWRNAPRCIGRIQWSNLQVFDARNCSTAQEMFQHICRHILYATNNGNIRSAITV
FPQRSDGKHDFRLWNSQLIRYAGYQMPDGTIRGDAATLEFTQLCIDLGWKPRYGRFDVLP
LVLQADGQDPEVFEIPPDLVLEVTMEHPKYEWFQELGLKWYALPAVANMLLEVGGLEFPA
CPFNGWYMGTEIGVRDFCDTQRYNILEEVGRRMGLETHTLASLWKDRAVTEINVAVLHSF
QKQNVTIMDHHTASESFMKHMQNEYRARGGCPADWIWLVPPVSGSITPVFHQEMLNYVLS
PFYYYQIEPWKTHIWQNEKLRPRRREIRFRVLVKVVFFASMLMRKVMASRVRATVLFATE
TGKSEALARDLATLFSYAFNTKVVCMDQYKASTLEEEQLLLVVTSTFGNGDCPSNGQTLK
KSLFMLRELNHTFRYAVFGLGSSMYPQFCAFAHDIDQKLSHLGASQLAPTGEGDELSGQE
DAFRSWAVQTFRAACETFDVRSKHHIQIPKRFTSNATWEPQQYRLIQSPEPLDLNRALSS
IHAKNVFTMRLKSQQNLQSEKSSRTTLLVQLTFEGSRGPSYLPGEHLGIFPGNQTALVQG
ILERVVDCPTPHQTVCLEVLDESGSYWVKDKRLPPCSLSQALTYFLDITTPPTQLQLHKL
ARFATDETDRQRLEALCQPSEYNDWKFSNNPTFLEVLEEFPSLHVPAAFLLSQLPILKPR
YYSISSSQDHTPSEVHLTVAVVTYRTRDGQGPLHHGVCSTWIRNLKPQDPVPCFVRSVSG
FQLPEDPSQPCILIGPGTGIAPFRSFWQQRLHDSQHKGLKGGRMSLVFGCRHPEEDHLYQ
EEMQEMVRKRVLFQVHTGYSRLPGKPKVYVQDILQKQLANEVLSVLHGEQGHLYICGDVR
MARDVATTLKKLVATKLNLSEEQVEDYFFQLKSQKRYHEDIFGAVFSYGAKKGSALEEPK
ATRL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50353027
n/a
NameBDBM50353027
Synonyms:CHEMBL1821990
TypeSmall organic molecule
Emp. Form.C26H33NO3
Mol. Mass.407.5451
SMILESCC(C)CNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](CCCc4ccc5OCOc5c4)[C@@H]4[C@H]3[C@@H]2C=C[C@H]14 |r,c:31,TLB:11:24:8.7:27.28,9:8:25.24:27.28,10:25:8.7:27.28,THB:11:10:26:7.29.24,5:7:25.24:27.28|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: