Reaction Details  Report a problem with these data
Target
Collagenase ColH
Ligand
BDBM633988
Substrate
n/a
Meas. Tech.
Inhibition of Gelatinase E Assay
IC50
>100000±n/a nM
Citation
 HOEKSTRA, W; RYU, H; CHINTHA, P SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS US Patent  US20230357139 Publication Date 11/9/2023
Target
Name:
Collagenase ColH
Synonyms:
3.4.24.3 | COLH_HATHI | Class II collagenase | Collagenase ColH | Gelatinase ColH | Microbial collagenase | colH
Type:
PROTEIN
Mol. Mass.:
116370.49
Organism:
Hathewaya histolytica
Description:
ChEMBL_119962
Residue:
1021
Sequence:
MKRKCLSKRLMLAITMATIFTVNSTLPIYAAVDKNNATAAVQNESKRYTVSYLKTLNYYDLVDLLVKTEIENLPDLFQYSSDAKEFYGNKTRMSFIMDEIGRRAPQYTEIDHKGIPTLVEVVRAGFYLGFHNKELNEINKRSFKERVIPSILAIQKNPNFKLGTEVQDKIVSATGLLAGNETAPPEVVNNFTPILQDCIKNIDRYALDDLKSKALFNVLAAPTYDITEYLRATKEKPENTPWYGKIDGFINELKKLALYGKINDNNSWIIDNGIYHIAPLGKLHSNNKIGIETLTEVMKVYPYLSMQHLQSADQIKRHYDSKDAEGNKIPLDKFKKEGKEKYCPKTYTFDDGKVIIKAGARVEEEKVKRLYWASKEVNSQFFRVYGIDKPLEEGNPDDILTMVIYNSPEEYKLNSVLYGYDTNNGGMYIEPEGTFFTYEREAQESTYTLEELFRHEYTHYLQGRYAVPGQWGRTKLYDNDRLTWYEEGGAELFAGSTRTSGILPRKSIVSNIHNTTRNNRYKLSDTVHSKYGASFEFYNYACMFMDYMYNKDMGILNKLNDLAKNNDVDGYDNYIRDLSSNYALNDKYQDHMQERIDNYENLTVPFVADDYLVRHAYKNPNEIYSEISEVAKLKDAKSEVKKSQYFSTFTLRGSYTGGASKGKLEDQKAMNKFIDDSLKKLDTYSWSGYKTLTAYFTNYKVDSSNRVTYDVVFHGYLPNEGDSKNSLPYGKINGTYKGTEKEKIKFSSEGSFDPDGKIVSYEWDFGDGNKSNEENPEHSYDKVGTYTVKLKVTDDKGESSVSTTTAEIKDLSENKLPVIYMHVPKSGALNQKVVFYGKGTYDPDGSIAGYQWDFGDGSDFSSEQNPSHVYTKKGEYTVTLRVMDSSGQMSEKTMKIKITDPVYPIGTEKEPNNSKETASGPIVPGIPVSGTIENTSDQDYFYFDVITPGEVKIDINKLGYGGATWVVYDENNNAVSYATDDGQNLSGKFKADKPGRYYIHLYMFNGSYMPYRINIEGSVGR
  
Inhibitor
Name:
BDBM633988
Synonyms:
US20230357139, Compound F
Type:
Small organic molecule
Emp. Form.:
C19H23FN2O5S
Mol. Mass.:
410.46
SMILES:
CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: