Reaction Details Report a problem with these data
Target
Choline O-acetyltransferase
Ligand
BDBM50079267
Substrate
n/a
Meas. Tech.
ChEMBL_49269 (CHEMBL662976)
Ki
100±n/a nM
Citation
 Mautner, HG; Merrill, RE; Currier, SF; Harvey, G Interaction of aromatic dyes with the coenzyme A binding site of choline acetyltransferase. J Med Chem 24:1534-7 (1982) [PubMed]  Article 
Target
Name:
Choline O-acetyltransferase
Synonyms:
CHAT | CHOACTase | CLAT_HUMAN | Choline O-acetyltransferase | Choline acetylase
Type:
PROTEIN
Mol. Mass.:
82561.12
Organism:
Homo sapiens (Human)
Description:
ChEMBL_49268
Residue:
748
Sequence:
MGLRTAKKRGLGGGGKWKREEGGGTRGRREVRPACFLQSGGRGDPGDVGGPAGNPGCSPHPRAATRPPPLPAHTPAHTPEWCGAASAEAAEPRRAGPHLCIPAPGLTKTPILEKVPRKMAAKTPSSEESGLPKLPVPPLQQTLATYLQCMRHLVSEEQFRKSQAIVQQFGAPGGLGETLQQKLLERQEKTANWVSEYWLNDMYLNNRLALPVNSSPAVIFARQHFPGTDDQLRFAASLISGVLSYKALLDSHSIPTDCAKGQLSGQPLCMKQYYGLFSSYRLPGHTQDTLVAQNSSIMPEPEHVIVACCNQFFVLDVVINFRRLSEGDLFTQLRKIVKMASNEDERLPPIGLLTSDGRSEWAEARTVLVKDSTNRDSLDMIERCICLVCLDAPGGVELSDTHRALQLLHGGGYSKNGANRWYDKSLQFVVGRDGTCGVVCEHSPFDGIVLVQCTEHLLKHVTQSSRKLIRADSVSELPAPRRLRWKCSPEIQGHLASSAEKLQRIVKNLDFIVYKFDNYGKTFIKKQKCSPDAFIQVALQLAFYRLHRRLVPTYESASIRRFQEGRVDNIRSATPEALAFVRAVTDHKAAVPASEKLLLLKDAIRAQTAYTVMAITGMAIDNHLLALRELARAMCKELPEMFMDETYLMSNRFVLSTSQVPTTTEMFCCYGPVVPNGYGACYNPQPETILFCISSFHSCKETSSSKFAKAVEESLIDMRDLCSLLPPTESKPLATKEKATRPSQGHQP
  
Inhibitor
Name:
BDBM50079267
Synonyms:
Congo Red | Direct red 28 | Kongorot | Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate | disodium 3,3'-((1,1'-biphenyl)-4,4'-diylbis(azo))bis(4-aminonaphthalene-1-sulphonate) | disodium 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
Type:
Small organic molecule
Emp. Form.:
C32H22N6O6S2
Mol. Mass.:
650.685
SMILES:
Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
Structure:
Search PDB for entries with ligand similarity: