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Target
Collagenase ColQ1
Ligand
BDBM50589986
Substrate
n/a
Meas. Tech.
ChEMBL_2194623 (CHEMBL5106983)
IC50
10100±n/a nM
Citation
 Alhayek, A; Abdelsamie, AS; Schönauer, E; Camberlein, V; Hutterer, E; Posselt, G; Serwanja, J; Blöchl, C; Huber, CG; Haupenthal, J; Brandstetter, H; Wessler, S; Hirsch, AKH Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases. J Med Chem 65:12933-12955 (2022) [PubMed]  Article
Target
Name:
Collagenase ColQ1
Synonyms:
3.4.24.3 | COLQ1_BACCQ | Microbial collagenase | Synonyms=colA | colA | colQ1
Type:
PROTEIN
Mol. Mass.:
109935.57
Organism:
Bacillus cereus (strain Q1)
Description:
ChEMBL_120752
Residue:
965
Sequence:
MNKKSKINKVMLSISTMALSLGALQAPASAEEKVPYNVLKTKPVGIEKPVDEIGHVSKAEETLSFQERLKVGDFSQRPASIPNKAAVKQVKESYSMADLNKMNDQELVETLGCIKWHQITDLFQFNEDAKAFYKDKGKMQVIIDELAHRGSTFTRDDSKGIQTFTEVLRSAFYLAFYNNELSELNERSFQDKCLPALKAIAKNPNFKLGTAEQDTVVSAYGKLISNASSDVETVQYASNILKQYNDNFNTYVNDRMKGQAIYDIMQGIDYDIQSYLIEARKEANETMWYGKVDGFINEINRIALLNEVTPENKWLVNNGIYFASRLGKFHSNPNKGLEVVTQAMHMYPRLSEPYFVAVEQITTNYNGKDYSGNTVDLEKIRKEGKEQYLPKTYTFDDGSIVFKTGDKVSEEKIKRLYWAAKEVKAQYHRVIGNDKALEPGNADDILTIVIYNSPEEYQLNRQLYGYETNNGGIYIEETGTFFTYERTPEQSIYSLEELFRHEFTHYLQGRYEVPGLFGRGDMYQNERLTWFQEGNAEFFAGSTRTNNVVPRKSIISGLSSDPASRYTAERTLFAKYGSWDFYNYSFALQSYLYTHQFETFDKIQDLIRANDVKNYDAYRENLSKDPKLNKEYQEYMQQLIDNQDKYNVPAVADDYLAEHAPKSLTAVEKEMTETLPMKDAKMTKHSSQFFNTFTLEGTYTGSVTKGESEDWNAMSKKVNEVLEQLAQKEWSGYKTVTAYFVNYRVNSSNEFEYDVVFHGIAKDDGENKAPTVNINGPYNGLVKEGIQFKSDGSKDEDGKIVSYLWDFGDGRTSTEVNPVHVYEREGSYKVALIVKDDKGKESKSETTVTVKDGSLTESEPNNRPEEANRIGLNTTIKGSLIGGDHTDVYTFNVASAKDIDISVLNEYGIGMTWVLHHESDMQNYAAYGQANGNHIEANFNAKPGEYYLYVYKYDNGDGTYKLSVK
  
Inhibitor
Name:
BDBM50589986
Synonyms:
CHEMBL5203868
Type:
Small organic molecule
Emp. Form.:
C18H25N5O3S
Mol. Mass.:
391.488
SMILES:
CC(C)CC(C(=O)NO)C(=O)NCCn1cc(CSc2ccccc2)nn1
Structure:
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