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Target
ATP-dependent Clp protease ATP-binding subunit ClpC1
Ligand
BDBM50540274
Substrate
n/a
Meas. Tech.
ChEMBL_1981276 (CHEMBL4614538)
Kd
1300±n/a nM
Citation
 Zhou, B; Shetye, G; Yu, Y; Santarsiero, BD; Klein, LL; Abad-Zapatero, C; Wolf, NM; Cheng, J; Jin, Y; Lee, H; Suh, JW; Lee, H; Bisson, J; McAlpine, JB; Chen, SN; Cho, SH; Franzblau, SG; Pauli, GF Antimycobacterial Rufomycin Analogues from  J Nat Prod 83:657-667 (2020) [PubMed]  Article 
Target
Name:
ATP-dependent Clp protease ATP-binding subunit ClpC1
Synonyms:
CLPC1_MYCTU | Caseinolytic protein C1 (ClpC1) | clpC1
Type:
Protein
Mol. Mass.:
93541.69
Organism:
Mycobacterium tuberculosis
Description:
P9WPC9
Residue:
848
Sequence:
MFERFTDRARRVVVLAQEEARMLNHNYIGTEHILLGLIHEGEGVAAKSLESLGISLEGVRSQVEEIIGQGQQAPSGHIPFTPRAKKVLELSLREALQLGHNYIGTEHILLGLIREGEGVAAQVLVKLGAELTRVRQQVIQLLSGYQGKEAAEAGTGGRGGESGSPSTSLVLDQFGRNLTAAAMEGKLDPVIGREKEIERVMQVLSRRTKNNPVLIGEPGVGKTAVVEGLAQAIVHGEVPETLKDKQLYTLDLGSLVAGSRYRGDFEERLKKVLKEINTRGDIILFIDELHTLVGAGAAEGAIDAASILKPKLARGELQTIGATTLDEYRKYIEKDAALERRFQPVQVGEPTVEHTIEILKGLRDRYEAHHRVSITDAAMVAAATLADRYINDRFLPDKAIDLIDEAGARMRIRRMTAPPDLREFDEKIAEARREKESAIDAQDFEKAASLRDREKTLVAQRAEREKQWRSGDLDVVAEVDDEQIAEVLGNWTGIPVFKLTEAETTRLLRMEEELHKRIIGQEDAVKAVSKAIRRTRAGLKDPKRPSGSFIFAGPSGVGKTELSKALANFLFGDDDALIQIDMGEFHDRFTASRLFGAPPGYVGYEEGGQLTEKVRRKPFSVVLFDEIEKAHQEIYNSLLQVLEDGRLTDGQGRTVDFKNTVLIFTSNLGTSDISKPVGLGFSKGGGENDYERMKQKVNDELKKHFRPEFLNRIDDIIVFHQLTREEIIRMVDLMISRVAGQLKSKDMALVLTDAAKALLAKRGFDPVLGARPLRRTIQREIEDQLSEKILFEEVGPGQVVTVDVDNWDGEGPGEDAVFTFTGTRKPPAEPDLAKAGAHSAGGPEPAAR
  
Inhibitor
Name:
BDBM50540274
Synonyms:
CHEMBL4641855
Type:
Small organic molecule
Emp. Form.:
C54H77N9O12
Mol. Mass.:
1044.2423
SMILES:
C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C[C@@H](C)CO)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H]2CO2)NC1=O |r|
Structure:
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