PRODRG (CCP4: Supported Program)

LIST OF FRAGMENTS

PRODRG can modify an input compound by adding chemical 'fragments' using the BUILD command. This document lists fragments available by default. The text drawings use 'X' to denote a fragment's first (or only) attachment point and 'Z' to indicate the second attachment point.

Fragments with a single attachment point

Fragment name Description Drawing
AC Acetyl 
X-C-C
  "
  O
AMIDE Amide 
X-C=O
  |
  N
AMIDIFY Amide at X 
X=O
|
N
BENZIFY Phenyl at X 
X=C-C
|   "
C=C-C
BR Bromide 
X-Br
BUT Butyl 
X-C-C-C-C
CARBOXIFY Carboxy/nitro at X 
X=O
|
O
CF3 Trifluoromethyl 
  F
  |
X-C-F
  |
  F
CHO Formyl 
X-C=O
CHS Thioformyl 
X-C=S
CL Chloride 
X-Cl
COOH Carboxyl 
X-C=O
  |
  O
CY3 Cyclopropyl 
X-C-C
  | |
  -C-
CY4 Cyclobutyl 
X-C-C
  | |
  C-C
CYANO Cyanide 
X-C#N
ET Ethyl 
X-C-C
F Fluoide 
X-F
HEX Hexyl 
X-C-C-C-C-C-C
I Iodide 
X-I
III Ethynyl at X 
X#C
IP Isopropyl 
X-C-C
  |
  C
ME Methyl 
X-C
MENH2 Aminomethyl 
X-C-N
MEOH Hydroxymethyl 
X-C-O
MESH Mercaptomethyl 
X-C-S
NH2 Amine 
X-N
NITRO Nitro... 
X-N=O
  |
  O
NME Methylamine 
X-N-C
NME2 Dimethylamine 
X-N-C
  |
  C
OH Hydroxyl 
X-O
OXO Oxo... 
X=O
P Phosphate 
    O
    "
X-O-P-O
    |
    O
P2 Diphosphate 
    O   O
    "   |
X-O-P-O-P=O
    |   |
    O   O
PENT Pentyl 
X-C-C-C-C-C
PHI Phenyl 
X-C=C-C
  |   "
  C=C-C
PHME Benzyl 
X-C-C=C-C
    |   "
    C=C-C
PNO Phosphonate 
  O
  "
X-P-O
  |
  O
PROP Propyl 
X-C-C-C
SH Thiol 
X-S
TFIFY Trifluoro... at X 
F-X-F
  |
  F
THIO Thio... 
X=S
TMEIFY Trimethyl at X 
C-X-C
  |
  C

Fragments with two attachment points

Fragment name Description Drawing
2-BENZ Benzo bridge 
X=C-C
    "
Z=C-C
2-CYHEX Butano bridge 
X-C-C
    |
Z-C-C
2-EPOXY Epoxy bridge 
X-O-Z
2-ET Ethano bridge 
X-C-C-Z
CONECT Connect two atoms 
X-Z