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BDBM50431420 CHEMBL2348056

SMILES: CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3c[nH]c4ccccc34)Nc12

InChI Key: InChIKey=XMZLXFZTSVHHLQ-NGTAMTFRSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431420   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Ribonucleoside-diphosphate reductase subunit alpha


(Mycobacterium tuberculosis)		BDBM50431420
PNG
(CHEMBL2348056)
Show SMILES CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3c[nH]c4ccccc34)Nc12 |r|
Show InChI InChI=1S/C48H53N9O17/c1-24(58)50-31(14-15-38(60)61)43(68)54-33(19-40(64)65)45(70)56-34(20-41(66)67)46(71)55-32(18-39(62)63)44(69)53-30-13-7-10-26-22-57(23-37(59)51-36(48(73)74)16-25-8-3-2-4-9-25)47(72)35(52-42(26)30)17-27-21-49-29-12-6-5-11-28(27)29/h2-13,21,31-36,49,52H,14-20,22-23H2,1H3,(H,50,58)(H,51,59)(H,53,69)(H,54,68)(H,55,71)(H,56,70)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,73,74)/t31-,32-,33-,34-,35-,36-/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 2.70E+4n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of Dansyl-Gly-Ser-Gly-Glu-Asp-Asp-Asp-Trp-Asp-Phe from C-terminal R1 subunit of Mycobacterium tuberculosis ribonucleotide reductase by f...

Bioorg Med Chem 21: 1992-2000 (2013)


Article DOI: 10.1016/j.bmc.2013.01.020
BindingDB Entry DOI: 10.7270/Q2T43VG6
More data for this
Ligand-Target Pair