Reaction Details Report a problem with these data
Target
Protein S100-B
Ligand
BDBM45440
Substrate
n/a
Meas. Tech.
ChEMBL_1555508 (CHEMBL3768090)
Kd
44000±n/a nM
Citation
Cavalier, MC; Ansari, MI; Pierce, AD; Wilder, PT; McKnight, LE; Raman, EP; Neau, DB; Bezawada, P; Alasady, MJ; Charpentier, TH; Varney, KM; Toth, EA; MacKerell, AD; Coop, A; Weber, DJ Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. J Med Chem 59:592-608 (2016) [PubMed] Article
More Info.:
Target
Name:
Protein S100-B
Synonyms:
Protein S100-B | S-100 protein beta chain | S-100 protein subunit beta | S100 calcium-binding protein B | S100B_RAT | S100b
Type:
PROTEIN
Mol. Mass.:
10731.34
Organism:
Rattus norvegicus
Description:
ChEMBL_116732
Residue:
92
Sequence:
MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDEDGDGECDFQEFMAFVSMVTTACHEFFEHE
Inhibitor
Name:
BDBM45440
Synonyms:
4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydroxyethanesulfonic acid | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-oxidanylethanesulfonic acid | CHEMBL494163 | MLS000028738 | PENTAMIDINE | PENTAMIDINE ISETHIONATE | SMR000059147 | cid_359323
Type:
Small organic molecule
Emp. Form.:
C19H24N4O2
Mol. Mass.:
340.4195
SMILES:
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1