Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM4375
Substrate
n/a
Meas. Tech.
ChEMBL_948152 (CHEMBL2338838)
IC50
239±n/a nM
Citation
 Shi, ZH; Li, NG; Shi, QP; Tang, H; Tang, YP; Li, W; Yin, L; Yang, JP; Duan, JA Synthesis and structure-activity relationship analysis of caffeic acid amides as selective matrix metalloproteinase inhibitors. Bioorg Med Chem Lett 23:1206-11 (2013) [PubMed]  Article 
Target
Name:
Interstitial collagenase
Synonyms:
CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1)
Type:
Enzyme
Mol. Mass.:
54010.26
Organism:
Homo sapiens (Human)
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
  
Inhibitor
Name:
BDBM4375
Synonyms:
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (9) | 3,4-Dihydroxycinnamate, XVII | CHEMBL145 | Caffeic acid | Caffeic acid, 1 | cid_689043
Type:
Small organic molecule
Emp. Form.:
C9H8O4
Mol. Mass.:
180.1574
SMILES:
OC(=O)\C=C\c1ccc(O)c(O)c1
Structure:
Search PDB for entries with ligand similarity: