Reaction Details Report a problem with these data
Target
Collagenase ColG
Ligand
BDBM11840
Substrate
BDBM11462
Meas. Tech.
MMP Enzyme Inhibition Assay
Ki
16000±n/a nM
Citation
 Scozzafava, A; Supuran, CT Protease inhibitors: synthesis of matrix metalloproteinase and bacterial collagenase inhibitors incorporating 5-amino-2-mercapto-1,3,4-thiadiazole zinc binding functions. Bioorg Med Chem Lett 12:2667-72 (2002) [PubMed]  Article 
Target
Name:
Collagenase ColG
Synonyms:
3.4.24.3 | COLG_HATHI | Class I collagenase | Collagenase (ChC) | Collagenase ColG | Gelatinase ColG | Microbial collagenase | class 1 collagenase | colG
Type:
Enzyme
Mol. Mass.:
126246.16
Organism:
Clostridium histolyticum
Description:
Q9S0X0
Residue:
1118
Sequence:
MKKNILKILMDSYSKESKIQTVRRVTSVSLLAVYLTMNTSSLVLAKPIENTNDTSIKNVEKLRNAPNEENSKKVEDSKNDKVEHVKNIEEAKVEQVAPEVKSKSTLRSASIANTNSEKYDFEYLNGLSYTELTNLIKNIKWNQINGLFNYSTGSQKFFGDKNRVQAIINALQESGRTYTANDMKGIETFTEVLRAGFYLGYYNDGLSYLNDRNFQDKCIPAMIAIQKNPNFKLGTAVQDEVITSLGKLIGNASANAEVVNNCVPVLKQFRENLNQYAPDYVKGTAVNELIKGIEFDFSGAAYEKDVKTMPWYGKIDPFINELKALGLYGNITSATEWASDVGIYYLSKFGLYSTNRNDIVQSLEKAVDMYKYGKIAFVAMERITWDYDGIGSNGKKVDHDKFLDDAEKHYLPKTYTFDNGTFIIRAGDKVSEEKIKRLYWASREVKSQFHRVVGNDKALEVGNADDVLTMKIFNSPEEYKFNTNINGVSTDNGGLYIEPRGTFYTYERTPQQSIFSLEELFRHEYTHYLQARYLVDGLWGQGPFYEKNRLTWFDEGTAEFFAGSTRTSGVLPRKSILGYLAKDKVDHRYSLKKTLNSGYDDSDWMFYNYGFAVAHYLYEKDMPTFIKMNKAILNTDVKSYDEIIKKLSDDANKNTEYQNHIQELADKYQGAGIPLVSDDYLKDHGYKKASEVYSEISKAASLTNTSVTAEKSQYFNTFTLRGTYTGETSKGEFKDWDEMSKKLDGTLESLAKNSWSGYKTLTAYFTNYRVTSDNKVQYDVVFHGVLTDNADISNNKAPIAKVTGPSTGAVGRNIEFSGKDSKDEDGKIVSYDWDFGDGATSRGKNSVHAYKKAGTYNVTLKVTDDKGATATESFTIEIKNEDTTTPITKEMEPNDDIKEANGPIVEGVTVKGDLNGSDDADTFYFDVKEDGDVTIELPYSGSSNFTWLVYKEGDDQNHIASGIDKNNSKVGTFKSTKGRHYVFIYKHDSASNISYSLNIKGLGNEKLKEKENNDSSDKATVIPNFNTTMQGSLLGDDSRDYYSFEVKEEGEVNIELDKKDEFGVTWTLHPESNINDRITYGQVDGNKVSNKVKLRPGKYYLLVYKYSGSGNYELRVNK
  
Inhibitor
Name:
BDBM11840
Synonyms:
2-[(4-bromobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide | 5-mercapto-1,3,4-thiadiazole 12e
Type:
Small organic molecule
Emp. Form.:
C20H20BrN5O4S3
Mol. Mass.:
570.503
SMILES:
CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nnc(S)s1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM11462
Synonyms:
Collagenase Substrate | FALGPA | furanacryloyl-leucyl-glycyl-prolyl-alanine
Type:
n/a
Emp. Form.:
C23H32N4O7
Mol. Mass.:
476.5228
SMILES:
CC(C)C[C@H](NC(=O)\C=C\c1ccco1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Structure:
Search PDB for entries with ligand similarity: