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Target
High mobility group protein B1
Ligand
BDBM50575107
Substrate
n/a
Meas. Tech.
ChEMBL_2124104 (CHEMBL4833337)
Kd
800±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:
BDBM50575107
Synonyms:
CHEMBL4867183
Type:
Small organic molecule
Emp. Form.:
C60H77N17O14
Mol. Mass.:
1260.3589
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r|
Structure:
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