DOES A FAST NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY- AND X-RAY CRYSTALLOGRAPHY HYBRID APPROACH PROVIDE RELIABLE S TRUCTURAL INFORMATION OF LIGAND-PROTEIN COMPLEXES? A CASE STUDY OF METALLOPROTEINASES.
PDB id Source Resolution
2W0D 2.0 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
ACT Invalid            
CL Invalid            
CGS Valid ic50 ~  2.0 nM   launch gocavviewer-lite   393.457
C18 H23 N3 O5 S
 CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC

DOES A FAST NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY X-RAY CRYSTALLOGRAPHY HYBRID APPROACH PROVIDE RELIA STRUCTURAL INFORMATION OF LIGAND-PROTEIN COMPLEXES? STUDY OF METALLOPROTEINASES. J.MED.CHEM. V. 52 1712 2009

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90% Homology Family

The Class containing this family consists of a total of 1 families.
Leader:    1ROS
CRYSTAL STRUCTURE OF MMP-12 COMPLEXED TO 2-(1
,3-DIOXO-1,3- DIHYDRO-2H-ISOINDOL-2-YL)ETHYL-
4-(4-ETHOXY[1,1-BIPHENYL]-4-Y L)-4-OXOBUTANOIC ACID
PDB id Binding data Representative ligand
1ROS ic50 = 0.0017 uM DEO
1JK3   BAT
1OS2   HAE
1RMZ   NGH
1UTT ic50 = 24.0 uM CP8
1UTZ ic50 = 0.014 uM PF3
1Y93 Kd = 8.0 mM HAE
2HU6 Kd = 154.0 uM 37A
2OXW   ILE-ALA-GLY
2OXZ   PRO-GLN-GLY
2W0D ic50 ~ 2.0 nM CGS
2WO8 ic50 = 0.52 uM 077
2WO9 ic50 = 0.062 uM 068
2WOA ic50 = 1.15 uM 576
3EHX Ki = 25.0 nM BDL
3EHY Ki = 1.4 uM TBL
3F15 Kd = 7.88 nM HS1
3F16 Kd = 5.91 nM HS3
3F17 Kd = 2.36 nM HS4
3F18 Kd = 29.5 nM HS5
3F19 Kd = 65.1 nM HS6
3F1A Kd = 61.1 nM HS7
3LIK Ki = 1.92 nM EEG
3LIL Ki = 8.3 nM EEA
3LIR Ki = 119.0 nM EEC
3LJG Ki = 18.6 nM EEF
3LK8 Kd = 19.7 nM Z79
3LKA Kd = 1.5 mM M4S
3N2U   D3X
3N2V   JT5
3NX7 Kd = 7.88 nM NHK