A database of the known 3D structures of proteins and nucleic acids
Ligand molecules listing ( 1006 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

A12
 C11H17N5O9P2 PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER 2

A15
 C24H14O4CL2 3'- 3"- DICHLOROPHENOL- 1,8- 3H- BENZO[DE]ISOCHROMEN- 1- ONE 1

A19
 C13H9BRCLNO4S 5- BROMO- 2- {[(4- CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID 1

A1A
 C33H40N4O6 6- AMINO HEXANOIC ACID 1

A1E
 C32H44N4O (5R)- 5- {[10- (1,2,3,4- TETRAHYDROACRIDIN- 9- YLAMINO)DECYL]AMINO}- 5,6,7,8- TETRAHYDROQUINOLIN- 2(1H)- ONE 1

A1R
 C15H24N6O12P2 5'- O- [(S)- {[(S)- {[(2R,3R,4S)- 3,4- DIHYDROXYPYRROLIDIN- 2- YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE 2

A1T
 C41H49N5O2 5- PENTYL- N- {[4'- (PIPERIDIN- 1- YLCARBONYL)BIPHENYL- 4- YL]METHYL}- N- [1- (PYRIDIN- 2- YLMETHYL)PIPERIDIN- 4- YL]PYRIDINE- 2- CARBOXAMIDE 1

A22
 C20H27N10O16P3 [(2R,3S,4R,5R)- 5- (6- AMINO- 9H- PURIN- 9- YL)- 3,4- DIHYDROXYTETRAHYDROFURAN- 2- YL]METHYL [(2R,3R,4R,5R)- 5- (6- AMINO- 9H- PURIN- 9- YL)- 3- HYDROXY- 4- (PHOSPHONOOXY) TETRAHYDROFURAN- 2- YL]METHYL DIHYDROGEN DIPHOSPHATE 1

A24
 C19H27N3O10   1

A26
 C12H11N2O2F3 2- CYANO- 3- HYDROXY- N- (4- TRIFLUOROMETHYL- PHENYL)- BUTYRAMIDE 2

A2D
 C20H26N10O13P2 BIS{[(2R,3S,4R,5R)- 5- (6- AMINO- 9H- PURIN- 9- YL)- 3,4- DIHYDROXYTETRAHYDROFURAN- 2- YL]METHYL} DIHYDROGEN DIPHOSPHATE 1

A2E
 C32H44N4O (5S)- 5- {[10- (1,2,3,4- TETRAHYDROACRIDIN- 9- YLAMINO)DECYL]AMINO}- 5,6,7,8- TETRAHYDROQUINOLIN- 2(1H)- ONE 1

A2G
 C8H15NO6 N- ACETYL- 2- DEOXY- 2- AMINO- GALACTOSE 7

A2G-GAL- GLC
     1

A2G-GLA
     1

A2G-NGA
     1

A2P
 C10H15N5O10P2 ADENOSINE- 2'- 5'- DIPHOSPHATE 8

A2T
 C35H48N4O N- [1- (3- METHYLBUTYL)PIPERIDIN- 4- YL]- N- {4- [METHYL(PYRIDIN- 4- YL)AMINO]BENZYL}- 4- PENTYLBENZAMIDE 1

A32
 C20H29N3O10   1

A37
 C13H7N2O3CL3S   1

A3B
 C4H7NO2 D- VINYLGLYCINE 1

A3D
 C22H28N6O14P2 3- ACETYLPYRIDINE ADENINE DINUCLEOTIDE 4

A3M
 C9H18N2O 2- AMINO- 3- METHYL- 1- PYRROLIDIN- 1- YL- BUTAN- 1- ONE 1

A3P
 C10H15N5O10P2 ADENOSINE- 3'- 5'- DIPHOSPHATE 35

A3P-VO4
     1

A3S
 C13H19N7O5 SERINE- 3'- AMINOADENOSINE 3

A41
 C14H13NO4S 5- METHYL- 2- [(PHENYLSULFONYL)AMINO]BENZOIC ACID 1

A42
 C14H12N5O3CL 1- (5- CHLORO- 2,4- DIMETHOXYPHENYL)- 3- (5- CYANOPYRAZIN- 2- YL)UREA 1

A45
 C11H8N6O3 3- (5- AMINO- 7- HYDROXY- [1,2,3]TRIAZOLO[4,5- D]PYRIMIDIN- 2- YL)- BENZOIC ACID 1

A48
 C26H29NOBF3 4- [(DIMESITYLBORYL)(2,2,2- TRIFLUOROETHYL)AMINO]PHENOL 1

A4C
 C42H50N8O2 9,9'- (HEXANE- 1,6- DIYLDIIMINO)BIS{N- [2- (DIMETHYLAMINO)ETHYL]ACRIDINE- 4- CARBOXAMIDE} 2

A4L
 C46H73CLN11O71+ 9- [(5- (ACETYLAMINO)- 6- {[(1S,4R)- 8- AMINO- 4- [((2R)- 6- AMINO- 2- {2- [(1S)- 5- AMINO- 1- FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]- 1- (4- AMINOBUTYL)- 2,3- DIOXOOCTYL]AMINO}- 6- OXOHEXYL)AMINO]- 6- CHLORO- 2- METHOXYACRIDINIUM 1

A4P
 C17H24N10O17P4 6- (ADENOSINE TETRAPHOSPHATE- METHYL)- 7,8- DIHYDROPTERIN 1

A53
 C29H25N5O2 5- {5- [(S)- 2- AMINO- 3- (1H- INDOL- 3- YL)- PROPOXYL]- PYRIDIN- 3- YL}- 3- [1- (1H- PYRROL- 2- YL)- METH- (Z)- YLIDENE]- 1,3- DIHYDRO- INDOL- 2- ONE 1

A5A
 C13H19N7O7S '5'- O- (N- (L- ALANYL)- SULFAMOYL)ADENOSINE 1

A5P
 C5H13O8P ARABINOSE- 5- PHOSPHATE 12

A70
 C42H70N6O5 (2S)- 2- [(3R)- 3- BENZYL- 4- N- (4- METHYLPIPERAZIN- 1- YL- CARBONYL)2- KETOPIPERAZIN- 1- YL]- HEXANOIC ACID AMIDE OF (2R,4S,5S)- 5- AMINO- 6- CYCLOHEXYL- 4- HYDROXY- 2- ISO- PROPYLHEXANOYL N- (N- AMIDE) 1

A71
 C6H25N5PT (6- AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEX 1

A71-A72- A71
     1

A74
 C20H15N3O5CL2S 2,5- DICHLORO- N- [5- METHOXY- 7- (6- METHOXYPYRIDIN- 3- YL)- 1,3- BENZOXAZOL- 2- YL]BENZENESULFONAMIDE 1

A75
 C17H17NO4S 2- [(PHENYLSULFONYL)AMINO]- 5,6,7,8- TETRAHYDRONAPHTHALENE- 1- CARBOXYLIC ACID 1

A76
 C44H58N8O6 N- {1- BENZYL- (2R,3R)- 2,3- DIHYDROXY- 4- [3- METHYL- 2- (3- METHYL- 3- PYRIDIN- 2- YLMETHYL- UREIDO)- BUTYRYLAMINO]- 5- PHENYL- PENTYL}- 3- METHYL- 2- (3- METHYL- 3- PYRIDIN- 2- YLMETHYL- UREIDO)- BUTYRAMIDE 1

A77
 C44H58N8O6 N- {1- BENZYL- (2R,3S)- 2,3- DIHYDROXY- 4- [3- METHYL- 2- (3- METHYL- 3- PYRIDIN- 2- YLMETHYL- UREIDO)- BUTYRYLAMINO]- 5- PHENYL- PENTYL}- 3- METHYL- 2- (3- METHYL- 3- PYRIDIN- 2- YLMETHYL- UREIDO)- BUTYRAMIDE 2

A78
 C44H60N8O5 N- {1- BENZYL- 3- HYDROXY- 4- [3- METHYL- 2- (3- METHYL- 3- PYRIDIN- 2- YLMETHYL- UREIDO)- BUTYRYLAMINO]- 5- PHENYL- PENTYL}- 3- METHYL- 2- (3- METHYL- 3- PYRIDIN- 2- YLMETHYL- UREIDO)- BUTYRAMIDE 1

A79
 C44H58N8O6 N- {1- BENZYL- (2S,3S)- 2,3- DIHYDROXY- 4- [3- METHYL- 2- (3- METHYL- 3- PYRIDIN- 2- YLMETHYL- UREIDO)- BUTYRYLAMINO]- 5- PHENYL- PENTYL}- 3- METHYL- 2- (3- METHYL- 3- PYRIDIN- 2- YLMETHYL- UREIDO)- BUTYRAMIDE 2

A80
 C22H23NO3 N- (5,5,8,8- TETRAMETHYL- 5,8- DIHYDRO- NAPHTHALEN- 2- YL)- TEREPHTHALAMIC ACID 1

A83
 C37H48N6O7S TERT- BUTYL 4- [({[1- ((1S,2R)- 1- BENZYL- 2- HYDROXY- 3- {ISOBUTYL[(4- METHOXYPHENYL)SULFONYL]AMINO}PROPYL)- 1H- 1,2,3- TRIAZOL- 4- YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE 1

A84
 C22H25N2O4FS 2- [({2- [(1Z)- 3- (DIMETHYLAMINO)PROP- 1- ENYL]- 4- FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8- TETRAHYDRONAPHTHALENE- 1- CARBOXYLIC ACID 1

A85
 C44H56N8O6F2 N- {1- BENZYL- 2,2- DIFLUORO- 3,3- DIHYDROXY- 4- [3- METHYL- 2- (3- METHYL- 3- PYRIDIN- 2- YLMETHYL- UREIDO)- BUTYRYLAMINO]- 5- PHENYL- PENTYL}- 3- METHYL- 2- (3- METHYL- 3- PYRIDIN- 2- YLMETHYL- UREIDO)- BUTYRAMIDE 1

A88
 C34H37N3O6 (5R,6R)- 2,4- BIS- (4- HYDROXY- 3- METHOXYBENZYL)- 1,5- DIBENZYL- 3- OXO- 6- HYDROXY- 1,2,4- TRIAZACYCLOHEPTANE 1
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