A database of the known 3D structures of proteins and nucleic acids
List of Het Groups ( 367 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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1 | 101 | 201 | 301 List of pairs

..Id

Formula
Description
No_of_PDB. entries

S01
   C27H26N3OCL   1- [4- (8- CHLORO- 3- METHYL- 5,6- DIHYDRO- BENZO[5,6]CYCLOHEPTA[1,2- B]PYRIDIN- 11- YLIDENE)- PIPERIDIN- 1- YL]- 2- PYRIDIN- 4- YL- ETHANONE   1

S02
   C18H31O7P   PHOSPHORIC ACID MONO- [2- (4- {2- [4- (2- HYDROXY- ETHOXY)- CYCLOHEXYLIDENE]- ETHYLIDENE}- CYCLOHEXYLOXY) - ETHYL] ESTER   2

S03
   C25H27N5O2   1- {4- [4- AMINO- 5- (3- METHOXYPHENYL)- 7H- PYRROLO[2,3- D]PYRIMIDIN- 7- YL]BENZYL}PIPERIDIN- 4- OL   1

S0H
   C3H9O4P   (S)- 2- HYDROXYPROPYLPHOSPHONIC ACID   3

S10
   C9H18N2O4   DIETHYL PROPANE- 1,3- DIYLBISCARBAMATE   1

S11
   C20H20N4O2CL2S   5- (3,5- DICHLOROPHENYL)THIO- 4- ISOPROPYL- 1- (PYRIDIN- 4- YL- METHYL)- 1H- IMIDAZOL- 2- YL- METHYL CARBAMATE   1

S14
   C22H25N6O2F   6- (4- {(1S,2S)- 2- AMINO- 1- [(DIMETHYLAMINO)CARBONYL]- 3- [(3S)- 3- FLUOROPYRROLIDIN- 1- YL]- 3- OXOPROPYL}PHENYL)- 1H- [1,2,4]TRIAZOLO[1,5- A]PYRIDIN- 4- IUM   1

S1A
   C29H44O8   SORAPHEN A   1

S1H
   C19H39NO5S   1- HEXADECANOSULFONYL- O- L- SERINE   1

S1S
   C41H46N4O10   2- (4- ((9S,10S,14S,Z)- 18- (2- AMINO- 2- OXOETHYL)- 9- (CARBOXYMETHYL)- 14- (NAPHTHALEN- 1- YLMETHYL)- 8,17,20- TRIOXO- 7,16,19- TRIAZASPIRO[5.14]ICOS- 11- EN- 10- YL)PHENYL)MALONIC ACID   2

S27
   C20H27N2O3P   N- [[2- METHYL- 4- HYDROXYCARBAMOYL]BUT- 4- YL- N]- BENZYL- P- [PHENYL]- P- [METHYL]PHOSPHINAMID   1

S2A
   C33H33NO6   (1R,3A'S,10'S,10A'R)- 7- METHOXY- 2- OXO- 10',10A'- DIHYDRO- 2H,3A'H- SPIRO[NAPHTHALENE- 1,3'- PENTALENO[1,2- B]NAPHTHALEN]- 10'- YL 2,6- DIDEOXY- 2- (METHYLAMINO)- ALPHA- D- GALACTOPYRANOSIDE   1

S2C
   C5H13NO5BS   S- 2- (BORONOETHYL)- L- CYSTEINE   5

S2M
   C13H21N2O9PS   2'- O- [2- (METHOXY)ETHYL]- 2- THIOTHYMIDINE- 5'- MONOPHOSPHATE   1

S3P
   C7H11O8P   SHIKIMATE- 3- PHOSPHATE   11

S48
   C27H30N6O4S   METHYL N- {(3S)- 1- [(1- METHYL- 1H- IMIDAZOL- 5- YL)METHYL]- 6- PHENYL- 1,2,3,4- TETRAHYDROQUINOLIN- 3- YL}- N- [(1- METHYL- 1H- IMIDAZOL- 4- YL)SULFONYL]GLYCINATE   1

S4C
   C9H14N3O7PS   4'- THIO- 4'- DEOXY- CYTOSINE- 5'- MONOPHOSPHATE   1

S4M
   C14H24N6O3S   5'- [(S)- (3- AMINOPROPYL)(METHYL)- LAMBDA~4~- SULFANYL]- 5'- DEOXYADENOSINE   1
S4P *         1

S4U
   C9H13N2O8PS   4- THIOURIDINE- 5'- PHOSPHATE   1
S4U *         1

S57
   C16H21N2O2CL   1- [6- (2- CHLORO- 4- METHYXYPHENOXY)- HEXYL]- IMIDAZOLE   1

S58
   C16H11N3O2BRF3S       2

S5H
   C25H38O5   5- ALPHA- PREGNANE- 3- BETA- OL- HEMISUCCINATE   1

S6G
   C10H14N5O6PS   6- THIO- 2'- DEOXYGUANOSINE- 5'- MONOPHOSPHATE   3

S6P
   C6H15O9P   D- SORBITOL- 6- PHOSPHATE   3

S70
   C4H6O9P2   3- HYDROXY- 2- OXO- 4- PHOPHONOXY- BUTYL)- PHOSPHONIC ACID   1
S79 * C20H16N6O   6- AMINO- 2- [(1- NAPHTHYLMETHYL)AMINO]- 3,7- DIHYDRO- 8H- IMIDAZO[4,5- G]QUINAZOLIN- 8- ONE   1

S80
   C20H37N3O6   N1- HYDROXY- 2- (3- HYDROXY- PROPYL)- 3- ISOBUTYL- N4- [1- (2- METHOXY- ETHYL)- 2- OXO- AZEPAN- 3- YL]- SUCCINAMIDE   1

S9L
   C6H15O7P   2- [2- (2- HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATE   3

SA1
   C15H21NO4   (3AR,6R,6AS)- 6- ((S)- ((S)- CYCLOHEX- 2- ENYL)(HYDROXY)METHYL)- 6A- METHYL- 4- OXO- HEXAHYDRO- 2H- FURO[3,2- C]PYRROLE- 6- CARBALDEHYDE   1

SA2
   C13H19NO9S       1

SA3
   C26H21N3O9   2,10- DIHYDROXY- 12- (BETA- D- GLUCOPYRANOSYL)- 6,7,12,13- TETRAHYDROINDOLO[2,3- A]PYRROLO[3,4- C]CARBAZOLE- 5,7- DIONE   1

SA8
   C15H23N7O5   S- 5'- AZAMETHIONINE- 5'- DEOXYADENOSINE   3

SAB
   C11H17N3O3S   4- SULFONAMIDE- [1- (4- AMINOBUTANE)]BENZAMIDE   1

SAC
   C5H9NO4   N- ACETYL- SERINE   24

SAD
   C20H27N7O13P2SE   BETA- METHYLENE- SELENAZOLE- 4- CARBOXYAMIDE- ADENINE DINUCLEOTIDE   1

SAE
   C19H25N7O14P2SE   SELENAZOLE- 4- CARBOXYAMIDE- ADENINE DINUCLEOTIDE   1

SAF
   C10H15NO   3- [(1S)- 1- (DIMETHYLAMINO)ETHYL]PHENOL   2

SAH
   C14H20N6O5S   S- ADENOSYL- L- HOMOCYSTEINE   239
SAH * C14H20N6O5S   S- ADENOSYL- L- HOMOCYSTEINE   1

SAI
   C14H20N6O5SE   S- ADENOSYL- L- HOMOSELENOCYSTEINE   3

SAL
   C7H6O3   2- HYDROXYBENZOIC ACID   11

SAM
   C15H22N6O5S   S- ADENOSYLMETHIONINE   93
SAM * C15H22N6O5S   S- ADENOSYLMETHIONINE   2

SAN
   C6H8N2O2S   SULFANILAMIDE   1

SAP
   C10H16N5O12P3S   ADENOSINE- 5'- DIPHOSPHATE MONOTHIOPHOSPHATE   11

SAR
   C3H7NO2   SARCOSINE   44

SAS
   C18H14N4O5S   2- HYDROXY- (5- ([4- (2- PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID   1

SAZ
   C14H26N       2

SB1
   C24H39NO6   (21S)- 1AZA- 4,4- DIMETHYL- 6,19- DIOXA- 2,3,7,20- TETRAOXOBICYCLO[19.4.0] PENTACOSANE   1

SB2
   C21H16N3OFS       3

SB3
   C28H35NO4   1,3- DIPHENYL- 1- PROPYL- 1- (3,3- DIMETHYL- 1,2- DIOXYPENTYL)- 2- PIPERIDINE CARBOXYLATE   1

SB4
   C18H19N6F       2

SB5
   C17H16N5F       1

SB6
   C18H16N3F       1

SB7
   C10H15NO2   [HYDROXY(3- PHENYLPROPYL)AMINO]METHANOL   2

SB8
   C16H15NO4   2- (3- BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE   1

SB9
   C10H14N2O2   HYDROXY[3- (6- METHYLPYRIDIN- 2- YL)PROPYL]FORMAMIDE   1

SBA
   C22H36N2O5   CARBOBENZYLOXY- (L)- LEUCINYL- (L)LEUCINYL METHOXYMETHYLKETONE   1

SBB
   C19H21N3O3S   N- [2- (1H- INDOL- 5- YL)- BUTYL]- 4- SULFAMOYL- BENZAMIDE   1

SBC
   C15H12N6O3S       1

SBD
   C17H22N2O6B   D- NAPHTHYL- 1- ACETAMIDO BORONIC ACID ALANINE   1

SBE
   C2H5O3B   1,3,2- DIOXABOROLAN- 2- OL   1

SBG
   C4H10NO5P   O- [(S)- HYDROXY(METHYL)PHOSPHORYL]- L- SERINE   1

SBH
   C5H13O8BRP2   (S)- 4- BROMO- 3- HYDROXY- 3- METHYLBUTYL DIPHOSPHATE   2

SBI
   C11H9N2O3F   SORBINIL   1

SBL
   C17H22N2O6B   L- NAPHTHYL- 1- ACETAMIDO BORONIC ACID ALANINE   1

SBN
   C15H14N2O2S   2- AMINO- 6- (3,5- DIMETHYLPHENYL)SULFONYLBENZONITRILE   1

SBO
   H3O3SB   TRIHYDROXYANTIMONITE(III)   1

SBP
   C6H15N3O3B   [3- (1,3,2- DIOXABOROLAN- 2- YLOXY)PROPYL]GUANIDINE   1

SBR
   C19H21N3O3S   (R)- N- (3- INDOL- 1- YL- 2- METHYL- PROPYL)- 4- SULFAMOYL- BENZAMIDE   1

SBS
   C19H21N3O3S   (S)- N- (3- INDOL- 1- YL- 2- METHYL- PROPYL)- 4- SULFAMOYL- BENZAMIDE   1

SBT
   C4H10O   2- BUTANOL   2

SBU
   C4H9   SEC- BUTYL GROUP   1

SBX
   C28H41NO4   1- CYCLOHEXYL- 3- PHENYL- 1- PROPYL- 1- (3,3- DIMETHYL- 1,2- DIOXYPENTYL)- 2- PIPERIDINE CARBOXYLATE   1

SBZ
   C10H14N2O3B   [4- (1,3,2- DIOXABOROLAN- 2- YLOXY)METHYL]BENZAMIDINE   1

SC1
   C10H16O13P2   [3R- [3A,4A,5B(S*)]]- 5- (1- CARBOXY- 1- PHOSPHONOETHOXY)- 4- HYDROXY- 3- (PHOSPHONOOXY)- 1- CYCLOHEXENE- 1- CARBOXYLIC ACID   1

SC2
   C5H9NO3S   N- ACETYL- L- CYSTEINE   3

SC3
   C18H23N6O2       1

SC4
   C21H17O3CL3   1[2- CHLORO- 4- METHOXY- PHENYL- OXYMETHYL]- 4- [2,6- DICHLORO- PHENYL- OXYMETHYL]- BENZENE   1

SC5
   C18H26N4O2   2- [((R)- {[4- (AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1- PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1- DIOL   1

SCA
   C25H40N7O19P3S   SUCCINYL- COENZYME A   3
SCB * C24H19CLN2O5S   2- CHLORO- 5- (5- {(E)- [(2Z)- 3- (2- METHOXYETHYL)- 4- OXO- 2- (PHENYLIMINO)- 1,3- THIAZOLIDIN- 5- YLIDENE]METHYL}- 2- FURYL)BENZOIC ACID   1

SCC
   C2H5S   THIOETHYL GROUP   2

SCD
   C26H42N7O19P3   SUCCINYL(CARBADETHIA)- COENZYME A   1

SCG
   C17H24O10   METHYL (2S,3R,4S)- 2- (BETA- D- GLUCOPYRANOSYLOXY)- 4- (2- OXOETHYL)- 3- VINYL- 3,4- DIHYDRO- 2H- PYRAN- 5- CARBOXYLATE   1

SCH
   C4H9NO2S2   S- METHYL THIOCYSTEINE GROUP   4

SCI
   C6H13N3O2S   L- THIOCITRULLINE   1

SCK
   C14H30N2O4   2,2'- [(1,4- DIOXOBUTANE- 1,4- DIYL)BIS(OXY)]BIS(N,N,N- TRIMETHYLETHANAMINIUM)   2

SCL
   C9H9NO4   ACETIC ACID SALICYLOYL- AMINO- ESTER   1

SCM
   C14H24N2O7   SPECTINOMYCIN   5

SCN
   CNS   THIOCYANATE ION   64

SCO
   C25H41N8O19P3   SUCCINAMIDE- COA   1

SCP
   C11H16N3O7P   [3- HYDROXY- 2- METHYL- 5- PHOSPHONOOXYMETHYL- PYRIDIN- 4- YLMETHYL]- N,O- CYCLOSERYLAMIDE   7

SCR
   C12H22O35S8   SUCROSE OCTASULFATE   2

SCS
   C5H11NOS2   S,S- ETHYLTHIOCYSTEINE   2

SCT
   C12H15N2O4   (SOUTH)- METHANOCARBA- THYMIDINE   1

SCU
   C9H18NO3   N,N,N- TRIMETHYL- 2- [(4- OXOBUTANOYL)OXY]ETHANAMINIUM   1

SCV
   C14H21N2O8S   N6- [(1S)- 2- {[(1R)- 1- CARBOXY- 2- METHYLPROPYL]OXY}- 1- (MERCAPTOCARBONYL)- 2- OXOETHYL]- 6- OXO- L- LYSINE   3
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