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Target
Protein c-Fos/Transcription factor Jun
Ligand
BDBM50180051
Substrate
n/a
Meas. Tech.
ChEMBL_329857 (CHEMBL870579)
IC50
11800±n/a nM
Citation
 Tsuchida, K; Chaki, H; Takakura, T; Kotsubo, H; Tanaka, T; Aikawa, Y; Shiozawa, S; Hirono, S Discovery of nonpeptidic small-molecule AP-1 inhibitors: lead hopping based on a three-dimensional pharmacophore model. J Med Chem 49:80-91 (2006) [PubMed]  Article 
Target
Name:
Protein c-Fos/Transcription factor Jun
Synonyms:
Proto-oncogene c-JUN/protein c-fos | Transcription factor AP1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 305353
Components:
This complex has 2 components.
Component 1
Name:
Transcription factor Jun
Synonyms:
AP1 | Activator protein 1 | JUN | JUN_HUMAN | Proto-oncogene c-JUN | Transcription factor AP-1 | Transcription factor AP1 | V-jun avian sarcoma virus 17 oncogene homolog | p39
Type:
n/a
Mol. Mass.:
35683.24
Organism:
Homo sapiens (Human)
Description:
P05412
Residue:
331
Sequence:
MTAKMETTFYDDALNASFLPSESGPYGYSNPKILKQSMTLNLADPVGSLKPHLRAKNSDLLTSPDVGLLKLASPELERLIIQSSNGHITTTPTPTQFLCPKNVTDEQEGFAEGFVRALAELHSQNTLPSVTSAAQPVNGAGMVAPAVASVAGGSGSGGFSASLHSEPPVYANLSNFNPGALSSGGGAPSYGAAGLAFPAQPQQQQQPPHHLPQQMPVQHPRLQALKEEPQTVPEMPGETPPLSPIDMESQERIKAERKRMRNRIAASKCRKRKLERIARLEEKVKTLKAQNSELASTANMLREQVAQLKQKVMNHVNSGCQLMLTQQLQTF
  
Component 2
Name:
Protein c-Fos
Synonyms:
FOS | FOS_HUMAN | G0S7 | Transcription factor AP1
Type:
PROTEIN
Mol. Mass.:
40679.34
Organism:
Homo sapiens (Human)
Description:
EBI_100167
Residue:
380
Sequence:
MMFSGFNADYEASSSRCSSASPAGDSLSYYHSPADSFSSMGSPVNAQDFCTDLAVSSANFIPTVTAISTSPDLQWLVQPALVSSVAPSQTRAPHPFGVPAPSAGAYSRAGVVKTMTGGRAQSIGRRGKVEQLSPEEEEKRRIRRERNKMAAAKCRNRRRELTDTLQAETDQLEDEKSALQTEIANLLKEKEKLEFILAAHRPACKIPDDLGFPEEMSVASLDLTGGLPEVATPESEEAFTLPLLNDPEPKPSVEPVKSISSMELKTEPFDDFLFPASSRPSGSETARSVPDMDLSGSFYAADWEPLHSGSLGMGPMATELEPLCTPVVTCTPSCTAYTSSFVFTYPEADSFPSCAAAHRKGSSSNEPSSDSLSSPTLLAL
  
Inhibitor
Name:
BDBM50180051
Synonyms:
(R)-4-(4-methylpentanoyl)-8-(4-methylpentylidene)-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid | CHEMBL371446
Type:
Small organic molecule
Emp. Form.:
C21H35NO3S
Mol. Mass.:
381.573
SMILES:
CC(C)CCC=C1CCC2(CC1)SC[C@H](N2C(=O)CCC(C)C)C(O)=O |wU:14.24,(-7.53,4.55,;-6,4.62,;-5.29,5.99,;-5.17,3.32,;-3.63,3.39,;-2.8,2.1,;-1.26,2.17,;-.42,.88,;1.12,.95,;1.82,2.31,;1,3.6,;-.54,3.53,;2.67,3.6,;4.15,3.19,;4.22,1.65,;2.78,1.11,;2.37,-.38,;.88,-.77,;3.45,-1.47,;3.05,-2.96,;4.13,-4.05,;3.72,-5.54,;5.62,-3.66,;5.51,.8,;6.88,1.49,;5.42,-.73,)|
Structure:
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