Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM13076
Substrate
n/a
Meas. Tech.
ChEMBL_307324 (CHEMBL835062)
Ki
2290±n/a nM
Citation
 Aureli, L; Cruciani, G; Cesta, MC; Anacardio, R; De Simone, L; Moriconi, A Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach. J Med Chem 48:2469-79 (2005) [PubMed]  Article 
Target
Name:
Albumin
Synonyms:
ALB | ALBU_HUMAN | Serum albumin
Type:
PROTEIN
Mol. Mass.:
69362.94
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1509401
Residue:
609
Sequence:
MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL
  
Inhibitor
Name:
BDBM13076
Synonyms:
6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide | BMCL182567 Compound 6a | Dichlothiazide | Hydro-D | Hydrochlorothiazide | Hypothiazide | JFD00715 | Oretic | cid_3639
Type:
Small organic molecule
Emp. Form.:
C7H8ClN3O4S2
Mol. Mass.:
297.739
SMILES:
NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Structure:
Search PDB for entries with ligand similarity: