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Target
Protein c-Fos/Transcription factor Jun
Ligand
BDBM50180048
Substrate
n/a
Meas. Tech.
ChEMBL_329857 (CHEMBL870579)
IC50
13300±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:
BDBM50180048
Synonyms:
(R)-8-(3-methylbutylidene)-4-(5-methylhexanoyl)-1-thia-4-aza-spiro[4.5]decane-3-carboxylic acid | CHEMBL426477
Type:
Small organic molecule
Emp. Form.:
C21H35NO3S
Mol. Mass.:
381.573
SMILES:
CC(C)CCCC(=O)N1[C@@H](CSC11CCC(CC1)=CCC(C)C)C(O)=O |wU:9.24,(8.93,-9.16,;7.84,-8.07,;8.25,-6.58,;6.35,-8.46,;5.27,-7.36,;5.68,-5.88,;4.6,-4.78,;3.11,-5.17,;5,-3.29,;6.45,-2.75,;6.37,-1.21,;4.89,-.81,;4.04,-2.09,;3.34,-3.46,;1.8,-3.53,;.97,-2.23,;1.68,-.87,;3.22,-.8,;-.57,-2.31,;-1.4,-1.01,;-2.94,-1.08,;-3.77,.22,;-3.65,-2.45,;7.73,-3.6,;9.11,-2.91,;7.64,-5.14,)|
Structure:
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