Reaction Details Report a problem with these data
Target
Nuclear factor NF-kappa-B p105 subunit
Ligand
BDBM50331547
Substrate
n/a
Meas. Tech.
ChEMBL_687291 (CHEMBL1291967)
IC50
30000±n/a nM
Citation
 Piccagli, L; Borgatti, M; Nicolis, E; Bianchi, N; Mancini, I; Lampronti, I; Vevaldi, D; Dall'Acqua, F; Cabrini, G; Gambari, R Virtual screening against nuclear factor¿B (NF-¿B) of a focus library: Identification of bioactive furocoumarin derivatives inhibiting NF-¿B dependent biological functions involved in cystic fibrosis. Bioorg Med Chem 18:8341-9 (2010) [PubMed]  Article 
Target
Name:
Nuclear factor NF-kappa-B p105 subunit
Synonyms:
NFKB1 | NFKB1_HUMAN | Nuclear factor NF-kappa-B (NF-kB) | Nuclear factor NF-kappa-B complex | Nuclear factor NF-kappa-B p105 subunit
Type:
Protein
Mol. Mass.:
105329.57
Organism:
Homo sapiens (Human)
Description:
P19838
Residue:
968
Sequence:
MAEDDPYLGRPEQMFHLDPSLTHTIFNPEVFQPQMALPTDGPYLQILEQPKQRGFRFRYVCEGPSHGGLPGASSEKNKKSYPQVKICNYVGPAKVIVQLVTNGKNIHLHAHSLVGKHCEDGICTVTAGPKDMVVGFANLGILHVTKKKVFETLEARMTEACIRGYNPGLLVHPDLAYLQAEGGGDRQLGDREKELIRQAALQQTKEMDLSVVRLMFTAFLPDSTGSFTRRLEPVVSDAIYDSKAPNASNLKIVRMDRTAGCVTGGEEIYLLCDKVQKDDIQIRFYEEEENGGVWEGFGDFSPTDVHRQFAIVFKTPKYKDINITKPASVFVQLRRKSDLETSEPKPFLYYPEIKDKEEVQRKRQKLMPNFSDSFGGGSGAGAGGGGMFGSGGGGGGTGSTGPGYSFPHYGFPTYGGITFHPGTTKSNAGMKHGTMDTESKKDPEGCDKSDDKNTVNLFGKVIETTEQDQEPSEATVGNGEVTLTYATGTKEESAGVQDNLFLEKAMQLAKRHANALFDYAVTGDVKMLLAVQRHLTAVQDENGDSVLHLAIIHLHSQLVRDLLEVTSGLISDDIINMRNDLYQTPLHLAVITKQEDVVEDLLRAGADLSLLDRLGNSVLHLAAKEGHDKVLSILLKHKKAALLLDHPNGDGLNAIHLAMMSNSLPCLLLLVAAGADVNAQEQKSGRTALHLAVEHDNISLAGCLLLEGDAHVDSTTYDGTTPLHIAAGRGSTRLAALLKAAGADPLVENFEPLYDLDDSWENAGEDEGVVPGTTPLDMATSWQVFDILNGKPYEPEFTSDDLLAQGDMKQLAEDVKLQLYKLLEIPDPDKNWATLAQKLGLGILNNAFRLSPAPSKTLMDNYEVSGGTVRELVEALRQMGYTEAIEVIQAASSPVKTTSQAHSLPLSPASTRQQIDELRDSDSVCDSGVETSFRKLSFTESLTSGASLLTLNKMPHDYGQEGPLEGKI
  
Inhibitor
Name:
BDBM50331547
Synonyms:
CHEMBL210287 | bromopyrogallol red
Type:
Small organic molecule
Emp. Form.:
C19H10Br2O8S
Mol. Mass.:
558.151
SMILES:
Oc1c(Br)cc2c(-c3ccccc3S(O)(=O)=O)c3cc(Br)c(=O)c(O)c3oc2c1O |(-8.37,3.47,;-7.03,2.7,;-7.04,1.16,;-8.37,.39,;-5.7,.39,;-4.37,1.16,;-3.04,.38,;-3.04,-1.16,;-4.38,-1.91,;-4.38,-3.45,;-3.05,-4.22,;-1.71,-3.45,;-1.72,-1.92,;-.38,-1.15,;.94,-.37,;.39,-2.47,;-1.17,.19,;-1.69,1.15,;-.36,.37,;1,1.14,;2.33,.36,;1,2.7,;2.34,3.46,;-.34,3.48,;-.34,5.02,;-1.69,2.71,;-3.03,3.49,;-4.37,2.71,;-5.71,3.47,;-5.71,5.01,)|
Structure:
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