Reaction Details  Report a problem with these data
Target
Collagenase ColA
Ligand
BDBM50407194
Substrate
n/a
Meas. Tech.
ChEMBL_49497 (CHEMBL662792)
Ki
8±n/a nM
Citation
 Yiotakis, A; Lecoq, A; Vassiliou, S; Raynal, I; Cuniasse, P; Dive, V Cyclic peptides with a phosphinic bond as potent inhibitors of a zinc bacterial collagenase. J Med Chem 37:2713-20 (1994) [PubMed]
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:
BDBM50407194
Synonyms:
CHEMBL2115242
Type:
Small organic molecule
Emp. Form.:
C31H43N4O8P
Mol. Mass.:
630.6689
SMILES:
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN=CCP(O)(O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O |r,w:17.18|
Structure:
Search PDB for entries with ligand similarity: