Reaction Details Report a problem with these data
Target
Collagenase ColA
Ligand
BDBM50100798
Substrate
n/a
Meas. Tech.
ChEMBL_49485 (CHEMBL659907)
Ki
10±n/a nM
Citation
 Clare, BW; Scozzafava, A; Supuran, CT Protease inhibitors: synthesis of a series of bacterial collagenase inhibitors of the sulfonyl amino acyl hydroxamate type. J Med Chem 44:2253-8 (2001) [PubMed]  Article 
Target
Name:
Collagenase ColA
Synonyms:
120 kDa collagenase | COLA_CLOPE | Microbial collagenase | colA
Type:
PROTEIN
Mol. Mass.:
125901.02
Organism:
Clostridium perfringens
Description:
ChEMBL_49485
Residue:
1104
Sequence:
MKKNLKRGELTKLKLVERWSATFTLAAFILFNSSFKVLAADKKVENSNNGQITREINADQISKTELNNEVATDNNRPLGPSIAPSRARNNKIYTFDELNRMNYSDLVELIKTISYENVPDLFNFNDGSYTFFSNRDRVQAIIYGLEDSGRTYTADDDKGIPTLVEFLRAGYYLGFYNKQLSYLNTPQLKNECLPAMKAIQYNSNFRLGTKAQDGVVEALGRLIGNASADPEVINNCIYVLSDFKDNIDKYGSNYSKGNAVFNLMKGIDYYTNSVIYNTKGYDAKNTEFYNRIDPYMERLESLCTIGDKLNNDNAWLVNNALYYTGRMGKFREDPSISQRALERAMKEYPYLSYQYIEAANDLDLNFGGKNSSGNDIDFNKIKADAREKYLPKTYTFDDGKFVVKAGDKVTEEKIKRLYWASKEVKAQFMRVVQNDKALEEGNPDDILTVVIYNSPEEYKLNRIINGFSTDNGGIYIENIGTFFTYERTPEESIYTLEELFRHEFTHYLQGRYVVPGMWGQGEFYQEGVLTWYEEGTAEFFAGSTRTDGIKPRKSVTQGLAYDRNNRMSLYGVLHAKYGSWDFYNYGFALSNYMYNNNMGMFNKMTNYIKNNDVSGYKDYIASMSSDYGLNDKYQDYMDSLLNNIDNLDVPLVSDEYVNGHEAKDINEITNDIKEVSNIKDLSSNVEKSQFFTTYDMRGTYVGGRSQGEENDWKDMNSKLNDILKELSKKSWNGYKTVTAYFVNHKVDGNGNYVYDVVFHGMNTDTNTDVHVNKEPKAVIKSDSSVIVEEEINFDGTESKDEDGEIKAYEWDFGDGEKSNEAKATHKYNKTGEYEVKLTVTDNNGGINTESKKIKVVEDKPVEVINESEPNNDFEKANQIAKSNMLVKGTLSEEDYSDKYYFDVAKKGNVKITLNNLNSVGITWTLYKEGDLNNYVLYATGNDGTVLKGEKTLEPGRYYLSVYTYDNQSGTYTVNVKGNLKNEVKETAKDAIKEVENNNDFDKAMKVDSNSKIVGTLSNDDLKDIYSIDIQNPSDLNIVVENLDNIKMNWLLYSADDLSNYVDYANADGNKLSNTCKLNPGKYYLCVYQFENSGTGNYIVNLQNK
  
Inhibitor
Name:
BDBM50100798
Synonyms:
2-(N-(2-nitrobenzyl)-2,2,12,12,15,15,18,18,18-nonafluorobutan-2-ylsulfonamido)-N-hydroxypropanamide | CHEMBL304281 | N-Hydroxy-2-[(2-nitro-benzyl)-(nonafluorobutane-1-sulfonyl)-amino]-propionamide
Type:
Small organic molecule
Emp. Form.:
C14H12F9N3O6S
Mol. Mass.:
521.312
SMILES:
CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: