CRYSTAL STRUCTURE OF MMP-12 COMPLEXED TO (2R)-3-({[4-[(PYRI DIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC A CID
PDB id Source Resolution
1UTZ HOMO SAPIENS 2.5 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
PF3 Valid ic50 =  0.014 uM   launch gocavviewer-lite   428.503
C25 H20 N2 O3 S
 c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4
HAE Valid submit data   launch gocavviewer-lite   75.067
C2 H5 N O2
 CC(=O)NO

CRYSTAL STRUCTURES OF NOVEL NON-PEPTIDIC, NON-ZINC CHELATING INHIBITORS BOUND TO MMP-12 J.MOL.BIOL. V. 341 1063 2004

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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