Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SN9
SN9
Name:8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
Formula:C30 H47 N5 O2
SMILES:O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cccc(OC)c3N(C)CC=4)CC5
InChi:InChI=1S/C30H47N5O2/c1-34-18-15-25(16-19-34)31-22-11-13-24(14-12-22)33-30(36)21-7-9-23(10-8-21)32-27-17-20-35(2)29-26(27)5-4-6-28(29)37-3/h4-6,17,21-25,31-32H,7-16,18-20H2,1-3H3,(H,33,36)/t21-,22-,23+,24?
Synonyms:SN8224
Definition date:2005-05-20
Last modified:2020-06-17
Identifier:cis-4-[(8-methoxy-1-methyl-1,2-dihydroquinolin-4-yl)amino]-N-{trans-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide
SNR
SNR
Name:NORBIOTIN
Formula:C9 H14 N2 O3 S
SMILES:O=C1NC2C(SCC2N1)CCCC(=O)O
InChi:InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1
Synonyms:4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID
Definition date:2002-04-10
Last modified:2020-06-17
Identifier:4-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]butanoic acid
SNT
SNT
Name:(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine
Formula:C23 H27 N5
SMILES:N(=C/c1c(n(nc1C)c2ccccc2)C)N3CCN(CC3)Cc4ccccc4
InChi:InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+
Synonyms:SANT-1
Definition date:2013-10-18
Last modified:2020-06-17
Release date:2014-01-22
Identifier:(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine
SNW
SNW
Name:Deoxyfructosylglutamine
Formula:C11 H20 N2 O8
SMILES:NC(=O)CC[CH](NC[C]1(O)OC[CH](O)[CH](O)[CH]1O)C(O)=O
InChi:InChI=1S/C11H20N2O8/c12-7(15)2-1-5(10(18)19)13-4-11(20)9(17)8(16)6(14)3-21-11/h5-6,8-9,13-14,16-17,20H,1-4H2,(H2,12,15)(H,18,19)/t5-,6+,8+,9-,11+/m0/s1
Synonyms:santhopine
Definition date:2016-06-12
Last modified:2020-06-17
Release date:2016-09-21
Identifier:(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{R},3~{S},4~{R},5~{R})-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]pentanoic acid
SOP
SOP
Name:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN DIPHOSPHATE
Formula:C24 H40 N7 O17 P3 S
SMILES:O=C(C)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C24H40N7O17P3S/c1-13(32)9-52-7-6-26-15(33)4-5-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-8-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1
Synonyms:S-(2-OXOPROPYL)-COENZYME A
Definition date:2006-03-24
Last modified:2020-06-17
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)
SOX
SOX
Name:N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLAC ETAMIDE
Formula:C16 H20 N2 O5 S
SMILES:O=C2N1C(C(=O)O)C(C)(C)S(O)C1C2NC(=O)Cc3ccccc3
InChi:InChI=1S/C16H20N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14,23-24H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
Synonyms:OXIDISED PENICILLIN G
Definition date:2001-09-11
Last modified:2020-06-17
Identifier:(2S,4S,5R,6R)-4-hydroxy-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SP5
SP5
Name:N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
Formula:C12 H28 N4 O
SMILES:O=C(NCCCNCCCCNCCCN)C
InChi:InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
Synonyms:N1-AcSpermine
Definition date:2008-03-31
Last modified:2020-06-17
Identifier:N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
SPB
SPB
Name:4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID
Formula:C19 H19 N O3
SMILES:O=C(Nc1ccc(cc1)C=Cc2ccccc2)CCCC(=O)O
InChi:InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+
Synonyms:5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID
Definition date:2000-09-20
Last modified:2020-06-17
Identifier:5-oxo-5-({4-[(E)-2-phenylethenyl]phenyl}amino)pentanoic acid
SPL
SPL
Name:OCTANOIC ACID (2-HYDROXY-1-HYDROXYMETHYL-HEPTADEC-3-ENYL)-AMIDE
Formula:C26 H51 N O3
SMILES:O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC
InChi:InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/t24?,25-/m1/s1
Synonyms:CERAMIDE
Definition date:2003-11-05
Last modified:2020-06-17
Identifier:N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octanamide
SPU
SPU
Name:2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
Formula:C23 H50 N2 O5 P
SMILES:O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
InChi:InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1
Synonyms:sphingosylphosphorylcholine, sphingosine phosphorylcholine
Definition date:2009-07-28
Last modified:2020-06-17
Identifier:2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
SQ
SQ
Name:3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE
Formula:C7 H12 N2 O2
SMILES:O=C1C(=O)C(NCC)C1NC
InChi:InChI=1S/C7H12N2O2/c1-3-9-5-4(8-2)6(10)7(5)11/h4-5,8-9H,3H2,1-2H3
Synonyms:SQUARIC ACID
Definition date:2002-08-13
Last modified:2020-06-17
Identifier:(3R,4S)-3-(ethylamino)-4-(methylamino)cyclobutane-1,2-dione
SQS
SQS
Name:(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol
Formula:C18 H37 N O2
SMILES:OCC(N)C(O)/C=C/CCCCCCCCCCCCC
InChi:InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
Synonyms:D-Sphingosine
Definition date:2013-04-26
Last modified:2020-06-17
Release date:2013-05-08
Identifier:(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol
SQU
SQU
Name:2,10,23-TRIMETHYL-TETRACOSANE
Formula:C27 H56
SMILES:C(CCCCCCCC(C)CCCCCCCCCCCCC(C)C)(C)C
InChi:InChI=1S/C27H56/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h25-27H,6-24H2,1-5H3/t27-/m1/s1
Synonyms:LIPID FRAGMENT
Definition date:1999-09-16
Last modified:2020-06-17
Identifier:(10R)-2,10,23-trimethyltetracosane
SRE
SRE
Name:(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
Formula:C17 H17 Cl2 N
SMILES:Clc1ccc(cc1Cl)C3c2c(cccc2)C(NC)CC3
InChi:InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
Synonyms:Sertraline
Definition date:2009-04-03
Last modified:2020-06-17
Identifier:(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SRL
SRL
Name:[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
Formula:C24 H42 O7 P2
SMILES:O=P(OCC)(OCC)/C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC
InChi:InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3
Synonyms:SR12813
Definition date:2001-05-22
Last modified:2020-06-17
Identifier:tetraethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonate)
SRY
SRY
Name:STREPTOMYCIN
Formula:C21 H39 N7 O12
SMILES:O=CC3(O)C(OC1OC(C(O)C(O)C1NC)CO)C(OC2C(NC(=[N@H])N)C(O)C(NC(=[N@H])N)C(O)C2O)OC3C
InChi:InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
Synonyms:STREPTOMYCIN A
Definition date:2000-08-25
Last modified:2020-06-17
Identifier:N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
SS2
SS2
Name:(1R)-1-PHENYLETHANOL
Formula:C8 H10 O
SMILES:OC(c1ccccc1)C
InChi:InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
Synonyms:1-PHENYLETHANOL
Definition date:2005-06-13
Last modified:2020-06-17
Identifier:(1R)-1-phenylethanol
SSD
SSD
Name:1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT
Formula:C9 H18 O9 S2
SMILES:[O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1
InChi:InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6+,7+,8+,9-,19+/m0/s1
Synonyms:DIASTEREOMER OF SALACINOL
Definition date:2004-06-22
Last modified:2020-06-17
Identifier:({[(1R,2R)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)
SSI
SSI
Name:[(3S)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
Formula:C11 H17 N4 O5 P
SMILES:O=P(O)(O)CCC(NCc2c1N=CNC(=O)c1nc2)CO
InChi:InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m0/s1
Synonyms:S-SerMe-ImmH phosphonate
Definition date:2010-09-27
Last modified:2020-06-17
Identifier:[(3S)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
SSR
SSR
Name:2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol
Formula:C28 H28 F N3 O2
SMILES:O=C(c3c1c(c(O)ccc1n(c2ccccc2)c3Cc4cccc(F)c4C)C)N5CCNCC5
InChi:InChI=1S/C28H28FN3O2/c1-18-20(7-6-10-22(18)29)17-24-27(28(34)31-15-13-30-14-16-31)26-19(2)25(33)12-11-23(26)32(24)21-8-4-3-5-9-21/h3-12,30,33H,13-17H2,1-2H3
Synonyms:[2-(3-Fluoro-2-methyl-benzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl]-piperazin-1-yl-methanone
Definition date:2010-09-01
Last modified:2020-06-17
Identifier:[2-(3-fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl](piperazin-1-yl)methanone
SST
SST
Name:L-arabinitol
Formula:C5 H12 O5
SMILES:OC(CO)C(O)C(O)CO
InChi:InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
Synonyms:(2S,4S)-pentane-1,2,3,4,5-pentol
Definition date:2014-09-02
Last modified:2020-06-17
Release date:2015-08-12
Identifier:L-arabinitol
SSU
SSU
Name:URIDINE-5'-PHOSPHOROTHIOATE
Formula:C9 H13 N2 O8 P S
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=S)(O)O
InChi:InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1
Synonyms:SP-SULFUR-SUBSTITUTED URIDINE
Definition date:2003-04-09
Last modified:2020-06-17
Identifier:5'-O-thiophosphonouridine
STI
STI
Name:4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
Formula:C29 H31 N7 O
SMILES:O=C(Nc3ccc(c(Nc2nc(c1cccnc1)ccn2)c3)C)c4ccc(cc4)CN5CCN(CC5)C
InChi:InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
Synonyms:STI-571
Definition date:2001-04-11
Last modified:2020-06-17
Identifier:4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide
STX
STX
Name:1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE
Formula:C9 H15 N3 O2
SMILES:O=C(c1nnc(o1)C(C)(C)C)CNC
InChi:InChI=1S/C9H15N3O2/c1-9(2,3)8-12-11-7(14-8)6(13)5-10-4/h10H,5H2,1-4H3
Synonyms:2-SARCOSINYL-5-TERT-BUTYL-[1,3,4]-OXADIAZOLE
Definition date:2005-04-25
Last modified:2020-06-17
Identifier:1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone
SU2
SU2
Name:3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE
Formula:C20 H21 N3 O2
SMILES:O=C2Nc1ccccc1C2Cc3ccc(cc3)N4CCN(C=O)CC4
InChi:InChI=1S/C20H21N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,14,18H,9-13H2,(H,21,25)
Synonyms:SU4984
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:4-(4-{[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)piperazine-1-carbaldehyde

238582

건을2025-07-09부터공개중

PDB statisticsPDBj update infoContact PDBjnumon