Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCystathionine gamma-lyase
LigandBDBM60996
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2021492 (CHEMBL4675305)
IC50 600±n/a nM
Citation Hu, YWang, LHan, XZhou, YZhang, TWang, LHong, TZhang, WGuo, XXSun, JQi, YYu, JLiu, HWu, F Discovery of a Bioactive Inhibitor with a New Scaffold for Cystathionine ?-Lyase. J Med Chem62:1677-1683 (2019) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cystathionine gamma-lyase
Name:Cystathionine gamma-lyase
Synonyms:CGL_HUMAN | CTH | Cystathionine gamma-lyase (CSE) | Cysteine-protein sulfhydrase | Gamma-cystathionase
Type:Protein
Mol. Mass.:44509.52
Organism:Homo sapiens (Human)
Description:P32929
Residue:405
Sequence:
MQEKDASSQGFLPHFQHFATQAIHVGQDPEQWTSRAVVPPISLSTTFKQGAPGQHSGFEY
SRSGNPTRNCLEKAVAALDGAKYCLAFASGLAATVTITHLLKAGDQIICMDDVYGGTNRY
FRQVASEFGLKISFVDCSKIKLLEAAITPETKLVWIETPTNPTQKVIDIEGCAHIVHKHG
DIILVVDNTFMSPYFQRPLALGADISMYSATKYMNGHSDVVMGLVSVNCESLHNRLRFLQ
NSLGAVPSPIDCYLCNRGLKTLHVRMEKHFKNGMAVAQFLESNPWVEKVIYPGLPSHPQH
ELVKRQCTGCTGMVTFYIKGTLQHAEIFLKNLKLFTLAESLGGFESLAELPAIMTHASVL
KNDRDVLGISDTLIRLSVGLEDEEDLLEDLDQALKAAHPPSGSHS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM60996
n/a
NameBDBM60996
Synonyms:5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid | 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxybenzoic acid | 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid | 5-[(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid | Aurintricarboxylic acid | MLS002153482 | SMR000326731 | cid_2259
TypeSmall organic molecule
Emp. Form.C22H14O9
Mol. Mass.422.3412
SMILES[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: