Target
Coagulation factor XIII A chain
Ligand
BDBM50420464
Substrate
n/a
Meas. Tech.
ChEMBL_841034 (CHEMBL2091160)
IC50
320±n/a nM
Citation
 Prime, MEAndersen, OABarker, JJBrooks, MACheng, RKToogood-Johnson, ICourtney, SMBrookfield, FAYarnold, CJMarston, RWJohnson, PDJohnsen, SFPalfrey, JJVaidya, DErfan, SIchihara, OFelicetti, BPalan, SPedret-Dunn, ASchaertl, SSternberger, IEbneth, AScheel, AWinkler, DToledo-Sherman, LBeconi, MMacdonald, DMuñoz-Sanjuan, IDominguez, CWityak, J Discovery and structure-activity relationship of potent and selective covalent inhibitors of transglutaminase 2 for Huntington's disease. J Med Chem 55:1021-46 (2012) [PubMed]  Article 
Target
Name:
Coagulation factor XIII A chain
Synonyms:
Coagulation factor XIII | F13A | F13A1 | F13A_HUMAN
Type:
PROTEIN
Mol. Mass.:
83261.29
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1475048
Residue:
732
Sequence:
MSETSRTAFGGRRAVPPNNSNAAEDDLPTVELQGVVPRGVNLQEFLNVTSVHLFKERWDTNKVDHHTDKYENNKLIVRRGQSFYVQIDFSRPYDPRRDLFRVEYVIGRYPQENKGTYIPVPIVSELQSGKWGAKIVMREDRSVRLSIQSSPKCIVGKFRMYVAVWTPYGVLRTSRNPETDTYILFNPWCEDDAVYLDNEKEREEYVLNDIGVIFYGEVNDIKTRSWSYGQFEDGILDTCLYVMDRAQMDLSGRGNPIKVSRVGSAMVNAKDDEGVLVGSWDNIYAYGVPPSAWTGSVDILLEYRSSENPVRYGQCWVFAGVFNTFLRCLGIPARIVTNYFSAHDNDANLQMDIFLEEDGNVNSKLTKDSVWNYHCWNEAWMTRPDLPVGFGGWQAVDSTPQENSDGMYRCGPASVQAIKHGHVCFQFDAPFVFAEVNSDLIYITAKKDGTHVVENVDATHIGKLIVTKQIGGDGMMDITDTYKFQEGQEEERLALETALMYGAKKPLNTEGVMKSRSNVDMDFEVENAVLGKDFKLSITFRNNSHNRYTITAYLSANITFYTGVPKAEFKKETFDVTLEPLSFKKEAVLIQAGEYMGQLLEQASLHFFVTARINETRDVLAKQKSTVLTIPEIIIKVRGTQVVGSDMTVTVQFTNPLKETLRNVWVHLDGPGVTRPMKKMFREIRPNSTVQWEEVCRPWVSGHRKLIASMSSDSLRHVYGELDVQIQRRPSM
  
Inhibitor
Name:
BDBM50420464
Synonyms:
CHEMBL2086506
Type:
Small organic molecule
Emp. Form.:
C21H21F2N3O5S
Mol. Mass.:
465.47
SMILES:
Fc1cccc(COC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)c1F
Structure:
Search PDB for entries with ligand similarity: