A database of the known 3D structures of proteins and nucleic acids
Ligand molecules listing ( 325 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 | 201 | 251 | 301 List of pairs

___Id____

Formula
Description No_of_PDB. entries

I01
 C27H26N3O6F (4R)- 4- (2- FLUORO- 6- HYDROXY- 3- METHOXY- BENZOYL)- BENZOIC ACID (3R)- 3- [(PYRIDINE- 4- CARBONYL)AMINO]- AZEPAN- 4- YL ESTER 1

I02
 C28H30N5O4FS 3- {5- [(1R)- 1- AMINO- 1- METHYL- 2- PHENYLETHYL]- 1,3,4- OXADIAZOL- 2- YL}- N- [(1R)- 1- (4- FLUOROPHENYL)ETHYL]- 5- [METHYL(METHYLSULFONYL)AMINO]BENZAMIDE 1

I03
 C28H32N3O6FS (2S)- 2- AMINO- 2- BENZYL- 3- HYDROXYPROPYL 3- ({[(1R)- 1- (4- FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5- [METHYL(METHYLSULFONYL)AMINO]BENZOATE 1

I04
 C27H27N4O5F N- {(3R,4R)- 4- [4- (2- FLUORO- 6- HYDROXY- 3- METHOXY- BENZOYL)- BENZOYLAMINO]- AZEPAN- 3- YL}ISONICOTINAMIDE 1

I05
 C27H28N3O5F (3R,4R)- N- {4- [4- (2- FLUORO- 6- HYDROXY- 3- METHOXY- BENZOYL)- BENZYLOXY]- AZEPAN- 3- YL}- ISONICOTINAMIDE 1

I06
 C16H14N2O2 2- PHENETHYL- 2,3- DIHYDRO- PHTHALAZINE- 1,4- DIONE 1

I08
 C28H28N3O4F (3R,4S)- N- (4- {TRANS- 2- [4- (2- FLUORO- 6- HYDROXY- 3- METHOXY- BENZOYL)- PHENYL]- VINYL}- AZEPAN- 3- YL)- ISONICOTINAMIDE 1

I0G
 C18H18O3 (3AS,4R,9BR)- 4- (4- HYDROXYPHENYL)- 1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN- 8- OL 2

I10
 C26H31N3O4S   1

I11
 C22H36N5O4S   1

I12
 C30H46N6O8 N- [(5- METHYLISOXAZOL- 3- YL)CARBONYL]- L- ALANYL- L- VALYL- N~1~- ((1S)- 4- ETHOXY- 4- OXO- 1- {[(3S)- 2- OXOPYRROLIDIN- 3- YL]METHYL}BUT- 2- ENYL)- L- LEUCINAMIDE 2

I17
 C23H31N7   1

I1H
 C27H29N3O3CL2 3- [2- (2,4- DICHLOROPHENYL)ETHOXY]- 4- METHOXY- N- [(1- PYRIDIN- 4- YLPIPERIDIN- 4- YL)METHYL]BENZAMIDE 1

I1N
 C6H10O6 (2S,3R,4R,5S,6S)- 2,3,4,5,6- PENTAHYDROXYCYCLOHEXANONE 1

I1P
 C21H24N8O2S 2- [4- (N- (3- DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-  1

I22
 C7H15O10P D- ALTRO- HEPT- 2- ULOSE 7- PHOSPHATE 1

I2P
 C6H15O15P3 D- MYO- INOSITOL- 2,4,5- TRIPHOSPHATE 1

I38
 C6H11NO3S N- (3- MERCAPTOPROPANOYL)- D- ALANINE 1

I3A
 C9H7NO 1H- INDOLE- 3- CARBALDEHYDE 1

I3N
 C19H19NO3 1- BENZYL- 5- METHOXY- 2- METHYL- 1H- INDOL- 3- YL)- ACETIC ACID 1

I3P
 C6H15O15P3 D- MYO- INOSITOL- 1,4,5- TRIPHOSPHATE 12

I3S
 C6H15O15P3 (1S,3S,4S)- 1,3,4- TRIPHOSPHO- MYO- INOSITOL 2

I40
 C20H19N2I 9- (3- IODOBENZYLAMINO)- 1,2,3,4- TETRAHYDROACRIDINE 1

I42
 HO4V HYDROXY(DIOXIDO)OXOVANADIUM 1

I48
 C20H22N3O3S   1

I4B
 C10H14 ISOBUTYLBENZENE 1

I4P
 C6H16O18P4 (1S,3R,4R,6S)- 1,3,4,6- TETRAPKISPHOSPHATE 1

I52
 C29H42N4O6S N- {4- [(1- HYDROXYCARBAMOYL- 2- METHYL- PROPYL)- (2- MORPHOLIN- 4- YL- ETHYL)- SULFAMOYL]- 4- PENTYL- BENZAMIDE 1

I58
 C8H16N3O2F 4R- FLUORO- N6- ETHANIMIDOYL- L- LYSINE 1

I59
 C11H11O4P HYDROXY(1- NAPHTHYL)METHYLPHOSPHONIC ACID 1

I5P
 C6H17O21P5 INOSITOL- (1,3,4,5,6)- PENTAKISPHOSPHATE 1

I5S
 C20H22N3O3CLS ISOQUINOLINE- 5- SULFONIC ACID (2- (2- (4- CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE 3

I7A
 C6H6N2O4CL2S2 4,5- DICHLOROBENZENE- 1,3- DISULFONAMIDE 1

I7B
 C6H8N3O4CLS2 4- AMINO- 6- CHLOROBENZENE- 1,3- DISULFONAMIDE 1

I7C
 C7H8N3O4F3S2 4- AMINO- 6- (TRIFLUOROMETHYL)BENZENE- 1,3- DISULFONAMIDE 1

I84
 C19H22N2O5S   2

I96
 C16H18N4S2   1

IAA
 C18H13N3O4 ({[(3E)- 2'- OXO- 2',7'- DIHYDRO- 2,3'- BIINDOL- 3(7H)- YLIDENE]AMINO}OXY)ACETIC ACID 1

IAB
 C25H43NO18 ISO- ACARBOSE 1

IAC
 C10H9NO2 1H- INDOL- 3- YLACETIC ACID 3

IAD
 C14H14N2O5 N- [1H- INDOL- 3- YL- ACETYL]ASPARTIC ACID 1

IAG
 C12H12N2O3 N- [1H- INDOL- 3- YL- ACETYL]GLYCINE ACID 2

IAP
 C8H9NO3BI 4- IODO- ACETAMIDO PHENYLBORONIC ACID 2

IAV
 C15H18N2O3 N- [1H- INDOL- 3- YL- ACETYL]VALINE ACID 1

IB2
 C21H29N10O14P3S P1- P2- METHYLENE- P3- THIO- DIADENOSINE TRIPHOSPHATE 2

IBA
 C18H27N3O4 4- [(2R)- 2- (AMINOMETHYL)- 2- (HYDROXYMETHYL)- 5- OXOPYRROLIDIN- 1- YL]- 3- [(1- ETHYLPROPYL)AMINO]BENZOIC ACID 2

IBB
 C23H20N6O   1

IBC
 C11H14N2O4   1

IBG
 C17H22N3O6IS GAMMA- GLUTAMYL[S- (2- IODOBENZYL)CYSTEINYL]GLYCINE 1

IBM
 C10H14N4O2 3- ISOBUTYL- 1- METHYLXANTHINE 7
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