Reaction Details Report a problem with these data
Target
Heat shock protein beta-1
Ligand
BDBM50559485
Substrate
n/a
Meas. Tech.
ChEMBL_2069608 (CHEMBL4724861)
Kd
68000±n/a nM
Citation
 Makley, LN; Johnson, OT; Ghanakota, P; Rauch, JN; Osborn, D; Wu, TS; Cierpicki, T; Carlson, HA; Gestwicki, JE Chemical validation of a druggable site on Hsp27/HSPB1 using in silico solvent mapping and biophysical methods. Bioorg Med Chem 34:0 (2021) [PubMed]  Article 
Target
Name:
Heat shock protein beta-1
Synonyms:
HSP27 | HSP28 | HSPB1 | HSPB1_HUMAN
Type:
PROTEIN
Mol. Mass.:
22781.73
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1500622
Residue:
205
Sequence:
MTERRVPFSLLRGPSWDPFRDWYPHSRLFDQAFGLPRLPEEWSQWLGGSSWPGYVRPLPPAAIESPAVAAPAYSRALSRQLSSGVSEIRHTADRWRVSLDVNHFAPDELTVKTKDGVVEITGKHEERQDEHGYISRCFTRKYTLPPGVDPTQVSSSLSPEGTLTVEAPMPKLATQSNEITIPVTFESRAQLGGPEAAKSDETAAK
  
Inhibitor
Name:
BDBM50559485
Synonyms:
CHEMBL4787246
Type:
Small organic molecule
Emp. Form.:
C12H7F2NO3
Mol. Mass.:
251.1857
SMILES:
[O-][N+](=O)c1ccc(Oc2ccc(F)cc2F)cc1
Structure:
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