A database of the known 3D structures of proteins and nucleic acids
Ligand molecules listing ( 193 entries )
This list gives all the complete molecules bound to protein or DNA/RNA in the structures of the PDB.
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1 | 51 | 101 | 151 List of pairs

___Id____

Formula
Description No_of_PDB. entries

R01
 C24H22NOBR (4'- {[ALLYL(METHYL)AMINO]METHYL}- 1,1'- BIPHENYL- 4- YL)(4- BROMOPHENYL)METHANONE 1

R02
 C24H26NO2BR {4- [((1S,2S)- 2- {[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE 1

R03
 C24H30N3OBR   1

R04
 C22H23N3OBRF (2E)- N- ALLYL- 4- {[3- (4- BROMOPHENYL)- 5- FLUORO- 1- METHYL- 1H- INDAZOL- 6- YL]OXY}- N- METHYL- 2- BUTEN- 1- AMINE 1

R11
 C25H25N7 4- {[1- METHYL- 5- (2- METHYL- BENZOIMIDAZOL- 1- YLMETHYL)- 1H- BENZOIMIDAZOL- 2- YLMETHYL]- AMINO}- BENZAMIDINE 3

R12
 C19H24O3 9- (4- HYDROXY- 2,6- DIMETHYL- PHENYL)- 3,7- DIMETHYL- NONA- 4,6,8- TRIENOIC ACID 1

R13
 C23H30O2 3- METHYL- 7- (5,5,8,8- TETRAMETHYL- 5,6,7,8- TETRAHYDRO- NAPHTHALEN- 2- YL) - OCTA- 2,4,6- TRIENOIC ACID 1

R16
 C16H34 HEXADECANE 1

R17
 C22H22NO2BR   1

R18
 C19H24O2 (17BETA)- 17- HYDROXY- 17- METHYLESTRA- 4,9,11- TRIEN- 3- ONE 6

R19
 C24H28NO2BR   1

R1C
 C38H26N6RH BIS(2,2'- BIPYRIDINE- KAPPA~2~N~1~,N~1'~)[CHRYSENE- 5,6- DIIMINATO(2- )- KAPPA~2~N,N']RHODIUM(4+) 1

R1C-R1C
     1

R1P
 C5H11O8P RIBOSE- 1- PHOSPHATE 4

R20
 C9H9N3 4- (3- METHYLPHENYL)- 1H- 1,2,3- TRIAZOLE 1

R22
 C20H20NO3IS 4- (3,5- DIMETHYLPHENOXY)- 5- (FURAN- 2- YLMETHYLSULFANYLMETHYL)- 3- IODO- 6- METHYLPYRIDIN- 2(1H)- ONE 1

R23
 C26H33N2O2CL METHYL- [4- (4- PIPERIDINE- 1- YLMETHYL- PHENYL)- CYCLOHEXYL]- CARBAMINIC ACID- (4- CHLOROPHENYL)- ESTER 1

R36
 C32H41N3O4 4- AMINO- N- {4- [2- (2,6- DIMETHYL- PHENOXY)- ACETYLAMINO]- 3- HYDROXY- 1- ISOBUTYL- 5- PHENYL- PENTYL}- BENZAMIDE 1

R37
 C32H41N3O4 3- AMINO- N- {4- [2- (2,6- DIMETHYL- PHENOXY)- ACETYLAMINO]- 3- HYDROXY- 1- ISOBUTYL- 5- PHENYL- PENTYL}- BENZAMIDE 1

R46
 C23H27N2OBRS N- {6- [4- (6- BROMO- 1,2- BENZISOTHIAZOL- 3- YL)PHENOXY]HEXYL}- N- METHYL- 2- PROPEN- 1- AMINE 1

R4A
 C44H41N7ORU BIS[1H,1'H- 2,2'- BIPYRIDINATO(2- )- KAPPA~2~N~1~,N~1'~]{3- [4- (1,10- DIHYDRO- 1,10- PHENANTHROLIN- 4- YL- KAPPA~2~N~1~,N~10~)BUTOXY]- N,N- DIMETHYLANILINATO(2- )}RUTHENIUM 3

R55
 C33H39N5O4 N- [4- ({4- [5- (4,4- DIMETHYLPIPERIDIN- 1- YL)- 2- HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3- YL]ISONICOTINAMIDE 1

R56
 C19H28N6O4S2 5- OXO- 6- PHENYLMETHANESULFONYLAMINO- HEXAHYDRO- THIAZOLO[3,2- A]PYRIDINE- 3- CARBOXYLIC ACID (3- GUANIDINO- PROPYL)- AMIDE 1

R5A-R5B
     1

R5P
 C5H13O8P RIBOSE- 5- PHOSPHATE 7

R64
 C23H24N4O3 (1- METHYL- 1H- IMIDAZOL- 2- YL)- (3- METHYL- 4- {3- [(PYRIDIN- 3- YLMETHYL)- AMINO]- PROPOXY}- BENZOFURAN- 2- YL)- METHANONE 1

R68
 C33H38N5O4F N- {4- [(4- {3- [(2R)- 3,3- DIMETHYLPIPERIDIN- 2- YL]- 2- FLUORO- 6- HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3- YL}ISONICOTINAMIDE 2

R69
 C28H31N5O4 N- [4- ({4- [5- (DIMETHYLAMINO)- 2- HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3- YL]ISONICOTINAMIDE 2

R6A
 C46H45N7ORU RUTHENIUM WIRE, 6 CARBON LINKER 1

R6C
 C19H25N5O2   1

R71
 C23H27NO2BRF   2

R79
 C23H27N2OBRS N- (6- {[3- (4- BROMOPHENYL)- 1,2- BENZISOTHIAZOL- 6- YL]OXY}HEXYL)- N- METHYLPROP- 2- EN- 1- AMINE 1

R7U
 C47H47N7ORU RUTHENIUM WIRE, 7 CARBON LINKER 1

R86
 C27H35N7O3 2- {(2R)- 4- [2- (1H- IMIDAZOL- 1- YL)- 6- METHYLPYRIMIDIN- 4- YL]- 1- ISOBUTYRYLPIPERAZIN- 2- YL}- N- [2- (4- METHOXYPHENYL)ETHYL]ACETAMIDE 1

R88
 C21H22NO2BR (4- BROMOPHENYL)[4- ({(2E)- 4- [CYCLOPROPYL(METHYL)AMINO]BUT- 2- ENYL}OXY)PHENYL]METHANONE 1

R94
 C31H35N5O4 N- (4- {[4- (2- HYDROXY- 5- PIPERIDIN- 1- YLBENZOYL)BENZOYL]AMINO}AZEPAN- 3- YL)ISONICOTINAMIDE 1

R96
 C33H39N5O4 N- [4- ({4- [5- (3,3- DIMETHYLPIPERIDIN- 1- YL)- 2- HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3- YL]ISONICOTINAMIDE 1

R99
 C19H28N2O5   1

R9A
 C49H51N7ORU RUTHENIUM WIRE, 9 CARBON LINKER 1

RA2
 C18H26N2O5 1- [4- CARBOXY- 2- (3- PENTYLAMINO)PHENYL]- 5,5'- DI(HYDROXYMETHYL)PYRROLIDIN- 2- ONE 1

RA4
 C23H35N7O5 N- (4- NITROBENZOYL)- L- LEUCYL- N- (4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L- PROLINAMIDE 1

RA8
 C23H38N6O4S N- (BENZYLSULFONYL)- L- LEUCYL- N- (4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L- PROLINAMIDE 1

RAA-RAA- RAA-NAG- RAO
     1

RAA-RAE- 1NA
     1

RAB
 C10H13N5O4   1

RAC
 C18H18N2O5 4- (2- DIMETHYLCARBAMOYL- PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID 1

RAD
 C52H81NO13 C49- METHYL RAPAMYCIN 1

RAG
 C29H41N9O10 ARGIFIN 2

RAI
 C14H18N4O5 1- (4- CARBOXY- 2- GUANIDINOPENTYL)- 5,5'- DI(HYDROXYMETHYL)PYRROLIDIN- 2- ONE 1

RAJ
 C29H29N6OF3 N- {3- [3- (DIMETHYLAMINO)PROPYL]- 5- (TRIFLUOROMETHYL)PHENYL}- 4- METHYL- 3- [(3- PYRIMIDIN- 4- YLPYRIDIN- 2- YL)AMINO]BENZAMIDE 1
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