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Target
dTDP-4-dehydrorhamnose 3,5-epimerase/reductase
Ligand
BDBM51599
Substrate
n/a
Meas. Tech.
ChEMBL_607666 (CHEMBL1071686)
IC50
398±n/a nM
Citation
 Sivendran, S; Jones, V; Sun, D; Wang, Y; Grzegorzewicz, AE; Scherman, MS; Napper, AD; McCammon, JA; Lee, RE; Diamond, SL; McNeil, M Identification of triazinoindol-benzimidazolones as nanomolar inhibitors of the Mycobacterium tuberculosis enzyme TDP-6-deoxy-d-xylo-4-hexopyranosid-4-ulose 3,5-epimerase (RmlC). Bioorg Med Chem 18:896-908 (2010) [PubMed]  Article 
Target
Name:
dTDP-4-dehydrorhamnose 3,5-epimerase/reductase
Synonyms:
dTDP-4-dehydrorhamnose 3,5-epimerase /dTDP-4-dehydrorhamnose reductase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 607666
Components:
This complex has 2 components.
Component 1
Name:
dTDP-4-dehydrorhamnose reductase
Synonyms:
RMLD_MYCTU | dTDP-4-keto-L-rhamnose reductase | dTDP-6-deoxy-L-lyxo-4-hexulose reductase | dTDP-6-deoxy-L-mannose dehydrogenase | dTDP-L-rhamnose synthase | rmlD
Type:
PROTEIN
Mol. Mass.:
32045.92
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_799072
Residue:
304
Sequence:
MAGRSERLVITGAGGQLGSHLTAQAAREGRDMLALTSSQWDITDPAAAERIIRHGDVVINCAAYTDVDGAESNEAVAYAVNATGPQHLARACARVGARLIHVSTDYVFDGDFGGAEPRPYEPTDETAPQGVYARSKLAGEQAVLAAFPEAAVVRTAWVYTGGTGKDFVAVMRRLAAGHGRVDVVDDQTGSPTYVADLAEALLALADAGVRGRVLHAANEGVVSRFGQARAVFEECGADPQRVRPVSSAQFPRPAPRSSYSALSSRQWALAGLTPLRHWRSALATALAAPANSTSIDRRLPSTRD
  
Component 2
Name:
dTDP-4-dehydrorhamnose 3,5-epimerase
Synonyms:
RMLC_MYCTO | dTDP-4-dehydrorhamnose 3,5-epimerase RmlC | rmlC | strM
Type:
Enzyme Catalytic Domain
Mol. Mass.:
22306.68
Organism:
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Description:
gi_15610601
Residue:
202
Sequence:
MKARELDVPGAWEITPTIHVDSRGLFFEWLTDHGFRAFAGHSLDVRQVNCSVSSAGVLRGLHFAQLPPSQAKYVTCVSGSVFDVVVDIREGSPTFGRWDSVLLDDQDRRTIYVSEGLAHGFLALQDNSTVMYLCSAEYNPQREHTICATDPTLAVDWPLVDGAAPSLSDRDAAAPSFEDVRASGLLPRWEQTQRFIGEMRGT
  
Inhibitor
Name:
BDBM51599
Synonyms:
3-[3-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one | 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one | 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one | MLS000112822 | SMR000108731 | cid_5310786
Type:
Small organic molecule
Emp. Form.:
C21H20N6OS
Mol. Mass.:
404.488
SMILES:
CCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12
Structure:
Search PDB for entries with ligand similarity: