A database of the known 3D structures of proteins and nucleic acids
Ligand molecules listing ( 1022 entries )
This list gives all the complete molecules bound to protein or DNA/RNA in the structures of the PDB.
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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

017-DMS
     2

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

100
 C12H8N5O2CL   1

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

103-3PO
     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 4

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

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
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