COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH ATORVASTATIN
PDB id Source Resolution
1HWK HOMO SAPIENS 2.22 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
ADP Valid submit data   launch gocavviewer-lite   427.201
C10 H15 N5 O10 P2
 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
117 Valid ic50 =  8.0 nM   launch gocavviewer-lite   558.64
C33 H35 F N2 O5
 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4

STRUCTURAL MECHANISM FOR STATIN INHIBITION OF HMG-COA REDUCTASE. SCIENCE V. 292 1160 2001

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90% Homology Family

The Class containing this family consists of a total of 2 families.
Leader:    2Q6B
DESIGN AND SYNTHESIS OF NOVEL, CONFORMATIONALLY
RESTRICTED HMG-COA REDUCTASE INHIBITORS
PDB id Binding data Representative ligand
2Q6B ic50 = 0.3 nM HR2
1DQ8   COA
1DQA   NAP
1HW8 ic50 = 23.0 nM 114
1HW9 ic50 = 11.0 nM SIM
1HWI ic50 = 28.0 nM 115
1HWJ ic50 = 10.0 nM 116
1HWK ic50 = 8.0 nM 117
1HWL ic50 = 5.0 nM FBI
2Q1L ic50 = 12.4 nM 882
2Q6C ic50 = 16.7 nM HR1
2R4F ic50 = 1.5 nM RIE
3BGL ic50 = 4.5 nM RID
3CCT Kd = 27.4 nM 3HI
3CCW Kd = 13.5 nM 4HI
3CCZ Kd = 51.7 nM 5HI
3CD0 Kd = 26.9 nM 6HI
3CD5 Kd = 12.7 nM 7HI
3CD7 Kd = 14.3 nM 882
3CDA Kd = 26.3 nM 8HI
3CDB Kd = 95.7 nM 9HI