Reaction Details Report a problem with these data
Target
High mobility group protein B1
Ligand
BDBM50056920
Substrate
n/a
Meas. Tech.
ChEMBL_2124106 (CHEMBL4833339)
Kd
900000±n/a nM
Citation
 Sgrignani, J; Cecchinato, V; Fassi, EMA; D'Agostino, G; Garofalo, M; Danelon, G; Pedotti, M; Simonelli, L; Varani, L; Grazioso, G; Uguccioni, M; Cavalli, A Systematic Development of Peptide Inhibitors Targeting the CXCL12/HMGB1 Interaction. J Med Chem 64:13439-13450 (2021) [PubMed]  Article 
Target
Name:
High mobility group protein B1
Synonyms:
HMG-1 | HMG1 | HMGB1 | HMGB1_HUMAN | High mobility group protein 1
Type:
PROTEIN
Mol. Mass.:
24889.95
Organism:
Homo sapiens (Human)
Description:
ChEMBL_936211
Residue:
215
Sequence:
MGKGDPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPKGETKKKFKDPNAPKRPPSAFFLFCSEYRPKIKGEHPGLSIGDVAKKLGEMWNNTAADDKQPYEKKAAKLKEKYEKDIAAYRAKGKPDAAKKGVVKAEKSKKKKEEEEDEEDEEDEEEEEDEEDEDEEEDDDDE
  
Inhibitor
Name:
BDBM50056920
Synonyms:
5,5'-methylenebis(2-hydroxy-3-methylbenzoic acid) | 5-(3-carboxy-4-hydroxy-5-methylbenzyl)-2-hydroxy-3-methylbenzoic acid | CHEMBL113835 | NSC-623548
Type:
Small organic molecule
Emp. Form.:
C17H16O6
Mol. Mass.:
316.3053
SMILES:
Cc1cc(Cc2cc(C)c(O)c(c2)C(O)=O)cc(C(O)=O)c1O
Structure:
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