A database of the known 3D structures of proteins and nucleic acids
List of Het Groups ( 1132 entries )
This list gives all the molecules, or part-molecules, or non-standard residues, defined by HETATM records in the PDB files (excluding waters). Duplicate entries correspond to different molecules having the same 3-letter code. *Het Groups not defined in the PDB's Het Group dictionary.
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..Id

Formula
Description
No_of_PDB. entries

001
   C35H42N2O6F2   1- [2,2- DIFLUORO- 2- (3,4,5- TRIMETHOXY- PHENYL)- ACETYL]- PIPERIDINE- 2- CARBOXYLIC ACID 4- PHENYL- 1- (3- PYRIDIN- 3- YL- PROPYL)- BUTYL ESTER   1

002
   C23H35N3O6       1

003
   C26H25N5O2   5- METHYL- 7- (2- METHYLPROPYL)- 2- (NAPHTHALEN- 1- YLMETHYL)- 3- PYRIDIN- 4- YL- 2H- PYRAZOLO[3,4- D]PYRIMIDINE- 4,6(5H,7H)- DIONE   1

007
   C12H17N   1- METHYLAMINE- 1- BENZYL- CYCLOPENTANE   1

008
   C20H22N3O2F   (S)- 2- [(R)- 3- AMINO- 4- (2- FLUORO- PHENYL)- BUTYRYL]- 1,2,3,4- TETRAHYDRO- ISOQUINOLINE- 3- CARBOXYLIC ACID AMIDE   1

017
   C27H37N3O7S   (3R,3AS,6AR)- HEXAHYDROFURO[2,3- B]FURAN- 3- YL(1S,2R)- 3- [[(4- AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1- BENZYL- 2- HYDROXYPROPYLCARBAMATE   13

033
   C26H24N2O6S   N- ({4'- [(1- BENZOFURAN- 2- YLCARBONYL)AMINO]- 1,1'- BIPHENYL- 4- YL}SULFONYL)- L- VALINE   1

039
   C21H15N6O2CLS       1

03R
   C29H26N4O4F2   2- ({6- {3- [AMINO(IMINO)METHYL]PHENOXY}- 3,5- DIFLUORO- 4- [(1- METHYL- 3- PHENYLPROPYL)AMINO]- 2- PYRIDINYL}OXY)BENZOIC ACID   1

041
   C15H10NO3F   2- (3- FLUORO- 4- HYDROXYPHENYL)- 7- VINYL- 1,3- BENZOXAZOL- 5- OL   1

042
   C16H26N2O8       1

047
   C23H28N2       1

061
   C26H24N6O2   2- BUTYL- 6- HYDROXY- 3- [2'- (1H- TETRAZOL- 5- YL)- BIPHENYL- 4- YLMETHYL]- 3H- QUINAZOLIN- 4- ONE   1

062
   C26H25N4O4CL   3- AZA- 9- HYDROXY- 9- FLUORENYLCARBONYL- L- PROLYL- 2- AMINOMETHYL- 5- CHLOROBENZYLAMIDE, N- OXIDE   1

072
   C37H46N2O4S       1

073
   C32H28N3O5F2P   (4- {(2S,4E)- 2- (1H- 1,2,3- BENZOTRIAZOL- 1- YL)- 2- [4- (METHOXYCARBONYL)PHENYL]- 5- PHENYLPENT- 4- ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID   2

074
   C18H31N3O6   [PROPYLAMINO- 3- HYDROXY- BUTAN- 1,4- DIONYL]- ISOLEUCYL- PROLINE   1

075
   C40H45N5O9S2   (4R)- N- [(1S,2R)- 2- HYDROXY- 2,3- DIHYDRO- 1H- INDEN- 1- YL]- 3- [(2S,3S)- 2- HYDROXY- 3- {[(2R)- 2- {[(ISOQUINOLIN- 5- YLOXY)ACETYL]AMINO}- 3- (METHYLSULFONYL)PROPANOYL]AMINO}- 4- PHENYLBUTANOYL]- 5,5- DIMETHYL- 1,3- THIAZOLIDINE- 4- CARBOXAMIDE   1

084
   C28H29N6F3   4- [5- [2- (1- PHENYL- ETHYLAMINO)- PYRIMIDIN- 4- YL]- 1- METHYL- 4- (3- TRIFLUOROMETHYLPHENYL)- 1H- IMIDAZOL- 2- YL]- PIPERIDINE   1
090 * C18H16N5O3   N- (2,3- DIHYDRO- 7,8- DIMETHOXYIMIDAZO[1,2- C] QUINAZOLIN- 5- YL)NICOTINAMIDE   1

093
   C14H16N3O4CLS2   N- (5- (4- CHLORO- 3- (2- HYDROXY- ETHYLSULFAMOYL)- PHENYLTHIAZOLE- 2- YL)- ACETAMIDE   1

094
   C24H18N4OCL2F2S   1- (2,6- DICHLOROPHENYL)- 6- [(2,4- DIFLUOROPHENYL)SULFANYL]- 7- (1,2,3,6- TETRAHYDRO- 4- PYRIDINYL)- 3,4- DIHYDROPYRIDO[3,2- D]PYRIMIDIN- 2(1H)- ONE   1

097
   C15H27N3O5   N4- (2,2- DIMETHYL- 1- METHYLCARBAMOYL- PROPYL)- 2,N1- DIHYDROXY- 3- ISOBUTYL- SUCCINAMIDE   1

0CS
   C3H7NO5S   3- [(S)- HYDROPEROXYSULFINYL]- L- ALANINE   1

100
   C12H8N5O2CL       1

101
   C10H14N5O6P   2'- DEOXY- ADENOSINE 3'- MONOPHOSPHATE   2

103
   C10H14N5O5P   2',5'- DIDEOXY- ADENOSINE 3'- MONOPHOSPHATE   1

104
   C6H18N4   N,N'- BIS(2- AMINOETHYL)- 1,2- ETHANEDIAMINE   1

105
   C12H12N2O4BCL   N- [5- METHYL- 3- O- TOLYL- ISOXAZOLE- 4- CARBOXYLIC ACID AMIDE] BORONIC ACID   3

106
   C14H9N4O3BRS   4- (5- BROMO- 2- OXO- 2H- INDOL- 3- YLAZO)- BENZENESULFONAMIDE   1

107
   C21H15N5O3S2   4- [(7- OXO- 7H- THIAZOLO[5,4- E]INDOL- 8- YLMETHYL)- AMINO]- N- PYRIDIN- 2- YL- BENZENESULFONAMIDE   1

108
   C11H15N3O3   2- (5- CARBAMIMIDOYL- 2- HYDROXY- BENZYLAMINO)- PROPIONIC ACID   2

109
   C11H15N3O3   2- (4- CARBAMIMIDOYL- 2- HYDROXY- BENZYLAMINO)- PROPIONIC ACID   2

10A
   C22H48N   DIDECYL- DIMETHYL- AMMONIUM   2

110
   C28H38N4O7S   3- (4- AMINO- CYCLOHEXYL)- 2- HYDROXY- 3- [(4- OXO- 2- PHENYLMETHANESULFONYL- 1,2,3,4- TETRAHYDRO- PYRROLO[1,2- A]PYRAZINE- 6- CARBONYL)- AMINO]- PROPIONIC ACID BUTYL ESTER   1

111
   C16H25N3O7S2   (1N)- 4- N- BUTOXYPHENYLSULFONYL- (2R)- N- HYDROXYCARBOXAMIDO- (4S)- METHANESULFONYLAMINO- PYRROLIDINE   1

112
   C12H19N6O13P3S   THIOPHOSPHORIC ACID O- ((ADENOSYL- PHOSPHO)PHOSPHO)- S- ACETAMIDYL- DIESTER   5

113
   C15H14O8   7,8- DIHYDROXY- 1- METHOXY- 3- METHYL- 10- OXO- 4,10- DIHYDRO- 1H,3H- PYRANO[4,3- B]CHROMENE- 9- CARBOXYLIC ACID   2

114
   C23H36O6   COMPACTIN   1

115
   C24H28NO4F   7- [3- (4- FLUORO- PHENYL)- 1- ISOPROPYL- 1H- INDOL- 2- YL]- 3,5- DIHYDROXY- HEPTANOIC ACID   1

116
   C26H36NO5F   7- [4- (4- FLUORO- PHENYL)- 5- HYDROXYMETHYL- 2,6- DIISOPROPYL- PYRIDIN- 3- YL]- 3,5- DIHYDROXY- HEPTANOIC ACID   1

117
   C33H35N2O5F   7- [2- (4- FLUORO- PHENYL)- 5- ISOPROPYL- 3- PHENYL- 4- PHENYLCARBAMOYL- PYRROL- 1- YL]- 3,5- DIHYDROXY- HEPTANOIC ACID   1

118
   C24H20SB   TETRAPHENYLANTIMONIUM ION   1

119
   C24H20P   TETRAPHENYLPHOSPHONIUM ION   2

11O
   C18H32O4   (TRANS- 12,13- EPOXY)- 11- HYDROXY- 9(Z)- OCTADECENOIC ACID   1
11P * C9H13NO7P2   [(7R)- 6,7- DIHYDRO- 5H- CYCLOPENTA[C]PYRIDIN- 7- YL(HYDROXY)METHYLENE]BIS(PHOSPHONIC ACID)   1

11R
   C51H55N7ORU   RUTHENIUM WIRE, 11 CARBON LINKER   1

120
   C13H12N5O       3

121
   C13H12N5O       1

122
   C14H13N4O   2- (2- HYDROXY- PHENYL)- 3H- BENZOIMIDAZOLE- 5- CARBOXAMIDINE   2

123
   C15H15N4O2       2

124
   C15H14N3O   2- (2- HYDROXY- PHENYL)- 1H- INDOLE- 5- CARBOXAMIDINE   1

125
   C12H18N2O9FP   2'- O- FLUOROETHYL- 5- METHYL- URIDINE- 5'- MONOPHOSPHATE   3

126
   C17H29N2O12P   2'- O- METHYL- [TRI(OXYETHYL)]- 5- METHYL- URIDINE- 5'- MONOPHOSPHATE   3
126 * C17H29N2O12P   2'- O- METHYL- [TRI(OXYETHYL)]- 5- METHYL- URIDINE- 5'- MONOPHOSPHATE   1

127
   C12H20N3O10P   2'- O- AMINOOXY- ETHYL- 5- METHYL- URIDINE- 5'- MONOPHOSPHATE   1

128
   C16H16N8O19P3   SPIRO(2,4,6- TRINITROBENZENE[1,2A]- 2O',3O'- METHYLENE- ADENINE- TRIPHOSPHATE   2

129
   C3H8NO5P   [2(FORMYL- HYDROXY- AMINO)- ETHYL]- PHOSPHONIC ACID   1

12A
   C16H23N6O11PS   2- METHYLTHIO- N6- (AMINOCARBONYL- L- THREONYL)- ADENOSINE- 5'- MONOPHOSPHATE   1

12B
   C11H7NO   BENZO[CD]INDOL- 2(1H)- ONE   1

12C
   C23H22N5OCL   4- [(3S)- 1- AZABICYCLO[2.2.2]OCT- 3- YLAMINO]- 3- (1H- BENZIMIDAZOL- 2- YL)- 6- CHLOROQUINOLIN- 2(1H)- ONE   1

12H
   C12H24O3   12- HYDROXYDODECANOIC ACID   1

12M
   C9H12O   (2- ETHYLPHENYL)METHANOL   1

12P
   C24H50O13   DODECAETHYLENE GLYCOL   8

12Q
   C10H9NO   1- METHYLQUINOLIN- 2(1H)- ONE   1

130
   C20H16N4O   2- (2- HYDROXY- BIPHENYL)- 1H- BENZOIMIDAZOLE- 5- CARBOXAMIDINE   3

132
   C21H17N3OCL       4

133
   C18H19N4O2F       1

134
   C22H24N3O2F   6- FLUORO- 2- [2- HYDROXY- 3- (2- METHYL- CYCLOHEXYLOXY)- PHENYL]- 1H- INDOLE- 5- CARBOXAMIDINE   1

135
   C14H13N3O2   N- (4- CARBAMIMIDOYL- PHENYL)- 2- HYDROXY- BENZAMIDE   1

136
   C15H13N3O2CLI       1

137
   C12H18NO9P   1- (O- CARBOXY- PHENYLAMINO)- 1- DEOXY- D- RIBULOSE- 5- PHOSPHATE   4

138
   C30H37N6O15P   N- [5'- O- PHOSPHONO- RIBOFURANOSYL]- 2- [2- HYDROXY- 2- [4- [GLUTAMIC ACID]- N- CARBONYLPHENYL]- 3- [2- AMINO- 4- HYDROXY- QUINAZOLIN- 6- YL]- PROPANYLAMINO]- ACETAMIDE   1

139
   C19H25N7O14P2   ADENOSINE- 5'- [TRIHYDROGEN DIPHOSPHATE] P'- 3'- ESTER WITH 2'- DEOXYURIDINE   1

13A
   C9H12N4O7S   7- (3,4- DIHYDROXY- 5R- HYDROXYMETHYLTETRAHYDROFURAN- 2- YL)- 2,2- DIOXO- 1,2R,3R,7- TETRAHYDRO- 2L6- IMIDAZO[4,5- C][1,2,6]THIADIAZIN- 4S- ONE   1

13D
   C3H10N2   1,3- DIAMINOPROPANE   1

13P
   C3H7O6P   1,3- DIHYDROXYACETONEPHOSPHATE   12

13R
   C18H32O4   13(R)- HYDROPEROXY- 9(Z),11(E)- OCTADECADIENOIC ACID   1

13S
   C18H32O4   13(S)- HYDROPEROXY- 9(Z),11(E)- OCTADECADIENOIC ACID   1

13T
   C32H50O10   13- DEOXYTEDANOLIDE   1

140
   C18H35NO3   N- PALMITOYLGLYCINE   2

141
   C5H2N4O2   PYRAZOLO[3,4- D]PYRIMIDINE- 4,6- DIONE   1

142
   C10H14N2O4   CARBIDOPA   1

143
   C8H13N3O5S   S- 2,3- DIHYDRO- 5- GLYCIN- 2- YL- ISOXAZOL- 3- YL- CYSTEINE   2

144
   C4H12NO3   TRIS- HYDROXYMETHYL- METHYL- AMMONIUM   9

145
   C12H15NO8   1- O- [O- NITROPHENYL]- BETA- D- GALACTOPYRANOSE   1

146
   C49H44N8O5   [4R- (4ALPHA,5ALPHA,6ALPHA,7ALPHA)]- 3,3'- {{TETRAHYDRO- 5,6- DIHYDROXY- 2- OXO- 4,7- BIS(PHENYLMETHYL)- 1H- 1,3- DIAZEPINE- 1,3(2H)- DIYL]BIS(METHYLENE)]BIS[N- 1H- BENZIMIDAZOL- 2- YLBENZAMIDE]   2

147
   C12H15NO8   1- O- [P- NITROPHENYL]- BETA- D- GALACTOPYRANOSE   2

148
   C8H19NO5       3

149
   C6H10O6   D- GALCTOPYRANOSYL- 1- ON   1

14A
   C19H27N4O3CL       1

14W
   C10H15N3   N- (3- (AMINOMETHYL)BENZYL)ACETAMIDINE   3

150
   C8H12N2   4,5- DIMETHYL- 1,2- PHENYLENEDIAMINE   1

151
   C19H30N4O6S   (2S)- 3- METHYL- 2- ((2R,3S)- 3- [(METHYLSULFONYL)AMINO]- 1- {[2- (PYRROLIDIN- 1- YLMETHYL)- 1,3- OXAZOL- 4- YL]CARBONYL}PYRROLIDIN- 2- YL)BUTANOIC ACID   1

152
   C7H16NO3   CARNITINE   7

153
   C24H18NO3CL2F3   (2S)- 2- [(2,4- DICHLORO- BENZOYL)- (3- TRIFLUOROMETHYL- BENZYL)- AMINO]- 3- PHENYL- PROPIONIC ACID   1

154
   C29H21NO4CL2S   (2S)- 2- [(5- BENZOFURAN- 2- YL- THIOPHEN- 2- YLMETHYL)- (2,4- DICHLORO- BENZOYL)- AMINO]- 3- PHENYL- PROPIONIC ACID   1

155
   C24H24N4O   6- [(Z)- AMINO(IMINO)METHYL]- N- (1- ISOPROPYL- 3,4- DIHYDROISOQUINOLIN- 7- YL)- 2- NAPHTHAMIDE   1

156
   C24H26O3   4- [3- OXO- 3- (5,5,8,8- TETRAMETHYL- 5,6,7,8- TETRAHYDRO- NAPHTHALEN- 2- YL)- PROPENYL]- BENZOIC ACID   1

157
   C12H22N2O2   6- (2- HYDROXY- CYCLOPENTYL)- 7- OXO- HEPTANAMIDINE   1
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