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Target
Heat shock protein HSP 90-beta
Ligand
BDBM50394077
Substrate
n/a
Meas. Tech.
ChEMBL_856085 (CHEMBL2162319)
Ki
204±n/a nM
Citation
 Davies, NG; Browne, H; Davis, B; Drysdale, MJ; Foloppe, N; Geoffrey, S; Gibbons, B; Hart, T; Hubbard, R; Jensen, MR; Mansell, H; Massey, A; Matassova, N; Moore, JD; Murray, J; Pratt, R; Ray, S; Robertson, A; Roughley, SD; Schoepfer, J; Scriven, K; Simmonite, H; Stokes, S; Surgenor, A; Webb, P; Wood, M; Wright, L; Brough, P Targeting conserved water molecules: design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg Med Chem 20:6770-89 (2012) [PubMed]  Article 
Target
Name:
Heat shock protein HSP 90-beta
Synonyms:
HS90B_HUMAN | HSP 84 | HSP 90 | HSP90AB1 | HSP90B | HSPC2 | HSPCB | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90)
Type:
Molecular Chaperone
Mol. Mass.:
83229.45
Organism:
Homo sapiens (Human)
Description:
P08238
Residue:
724
Sequence:
MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEEDKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRVFIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELAEDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQKSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEGLELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFETALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRMEEVD
  
Inhibitor
Name:
BDBM50394077
Synonyms:
CHEMBL2158583
Type:
Small organic molecule
Emp. Form.:
C15H9N5S
Mol. Mass.:
291.33
SMILES:
CSc1nc(-c2ccc(cc2)C#N)c2c(c[nH]c2n1)C#N
Structure:
Search PDB for entries with ligand similarity: