Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90
Ligand
BDBM50048495
Substrate
n/a
Meas. Tech.
ChEMBL_1448528 (CHEMBL3379280)
IC50
168000±n/a nM
Citation
 Gavenonis, J; Jonas, NE; Kritzer, JA Potential C-terminal-domain inhibitors of heat shock protein 90 derived from a C-terminal peptide helix. Bioorg Med Chem 22:3989-93 (2014) [PubMed]  Article 
Target
Name:
Heat shock protein HSP 90
Synonyms:
Eukaryotic peptide initiation factor 2 kinase, alpha-chain-associated phosphopeptide | HSP90_RABIT
Type:
PROTEIN
Mol. Mass.:
5288.84
Organism:
Oryctolagus cuniculus
Description:
ChEMBL_1448528
Residue:
47
Sequence:
MPEEVQTQDQPMETFAVQTFAFQAEIAQLMSLIYESLTDPSKLDSGK
  
Inhibitor
Name:
BDBM50048495
Synonyms:
CHEMBL3360771
Type:
Small organic molecule
Emp. Form.:
C91H147N31O26S
Mol. Mass.:
2123.398
SMILES:
CSCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O |r|
Structure:
Search PDB for entries with ligand similarity: