CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH THE AMINO-THIAZOLE-PYRIMIDINE FRAGMENT
PDB id Source Resolution
2W70 1.77 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
L22 Valid ic50 =  12.0 uM   launch gocavviewer-lite   193.229
C7 H7 N5 S
 c1cnc(nc1c2csc(n2)N)N
CL Invalid            

DISCOVERY OF ANTIBACTERIAL BIOTIN CARBOXYLASE INHIBITORS BY VIRTUAL SCREENING AND FRAGMENT-BASED APPROACHES. ACS CHEM.BIOL. V. 4 473 2009

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90% Homology Family

The Class containing this family consists of a total of 3 families.
Leader:    2V58
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM
E.COLI IN COMPLEX WITH POTENT INHIBITOR 1
PDB id Binding data Representative ligand
2V58 Kd = 0.82 nM LZJ
1DV2   ATP
2J9G   ADP
2V59 Kd = 6.53 nM LZK
2V5A ic50 = 150.0 nM LZL
2W6M ic50 = 21.5 uM OA1
2W6N ic50 = 0.125 uM OA2
2W6O ic50 = 60.8 uM OA3
2W6P ic50 = 0.333 uM OA4
2W6Q ic50 = 25.4 uM OA5
2W6Z ic50 = 1500.0 uM L21
2W70 ic50 = 12.0 uM L22
2W71 ic50 = 0.334 uM L23
3G8C   ADP
3G8D   ADP
3JZF ic50 = 5.0 uM JZK
3JZI ic50 = 5.0 uM JZL
3RUP   ADP
3RV3   ADP
3RV4   ADP