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Target
ATP-dependent Clp protease ATP-binding subunit ClpC1
Ligand
BDBM50540278
Substrate
n/a
Meas. Tech.
ChEMBL_1981275 (CHEMBL4614537)
Kd
300±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:
BDBM50540278
Synonyms:
CHEMBL4647204
Type:
Small organic molecule
Emp. Form.:
C54H77N9O13
Mol. Mass.:
1060.2417
SMILES:
[H][C@@]12C[C@@H](C)[C@@H](O)N([C@@H](CC(C)C)C(=O)N[C@@H](C\C=C\C)C(=O)N[C@@H](Cc3cn(c4ccccc34)C(C)(C)[C@H](O)CO)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)c(c3)[N+]([O-])=O)C(=O)N[C@@H](C)C(=O)N1C)C2=O |r|
Structure:
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