Reaction Details Report a problem with these data
Target
High mobility group protein B1
Ligand
BDBM50185127
Substrate
n/a
Meas. Tech.
ChEMBL_2124106 (CHEMBL4833339)
Kd
150000±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:
BDBM50185127
Synonyms:
(3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid | 30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid | CHEMBL441687 | glycyrrhizic acid | glycyrrhizinic acid | glyzyrrhizin
Type:
Small organic molecule
Emp. Form.:
C42H62O16
Mol. Mass.:
822.9321
SMILES:
CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |r,t:18|
Structure:
Search PDB for entries with ligand similarity: