CO-CRYSTAL STRUCTURE OF HUMAN FARNESYLTRANSFERASE WITH FARNESYLDIPHOSPHATE AND INHIBITOR COMPOUND 49
PDB id Source Resolution
1LD8 HOMO SAPIENS 1.8 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
U49 Valid ic50 =  3.5 nM   launch gocavviewer-lite   435.477
C26 H21 N5 O2
 c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N
SUC Valid submit data   launch gocavviewer-lite   342.296
C12 H22 O11
 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
FPP Valid submit data   launch gocavviewer-lite   382.326
C15 H28 O7 P2
 CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C
ACY Invalid            

3-AMINOPYRROLIDINONE FARNESYLTRANSFERASE INHIBITORS: DESIGN OF MACROCYCLIC COMPOUNDS WITH IMPROVED PHARMACOKINETICS AND EXCELLENT CELL POTENCY. J.MED.CHEM. V. 45 2388 2002

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90% Homology Family

The Class containing this family consists of a total of 2 families.
Leader:    1MZC
CO-CRYSTAL STRUCTURE OF HUMAN FARNESYLTRANSFERASE
WITH FARNESYLDIPHOSPHATE AND INHIBITOR COMPOUND 33A
PDB id Binding data Representative ligand
1MZC ic50 = 0.06 nM BNE
1D8D   FII
1JCQ   739
1JCR   CYS-VAL-PHE-MET
1JCS   THR-LYS-CYS-VAL-PHE-MET
1KZO Kd = 5.0 nM FPP
1LD7 ic50 = 1.1 nM U66
1LD8 ic50 = 3.5 nM U49
1O1R   GRG
1O1S Ki = 49.0 nM 1NH
1O1T   2NH
1O5M ic50 = 1.9 nM 336
1S63 Ki = 0.9 nM 778
1SA4   JAN
1TN6   FII
1TN7   LYS-LYS-SER-LYS-THR-LYS-CYS-VAL-ILE-PHE
1TN8   GLY-CYS-VAL-LEU-SER
2IEJ   FII
2ZIR ic50 = 6.4 nM NH7
3E30   ED4
3E32   ED2
3E33   ED7
3E34   ED1
3E37 ic50 = 4050.0 nM ED5
3KSL   SZH
3KSQ ic50 = 0.38 nM Z96
3PZ4 ic50 = 6.0 nM 3PZ