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ZXY
ZXY
Name:N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide
Formula:C32 H30 N2 O11
SMILES:N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O
InChi:InChI=1S/C32H30N2O11/c35-19-15-25(40)28-26(16-19)45-30(18-6-8-22(37)24(39)14-18)31(29(28)42)44-12-2-10-33-32(43)20-3-1-11-34(20)27(41)9-5-17-4-7-21(36)23(38)13-17/h4-9,13-16,20,35-40H,1-3,10-12H2,(H,33,43)/b9-5+/t20-/m0/s1
Synonyms:Montbretin A analogue M06-MbA
Definition date:2019-03-25
Last modified:2021-03-01
Release date:2020-02-12
Identifier:N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide
RZX
RZX
Name:2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole
Formula:C18 H21 N3 O3 S
SMILES:O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C
InChi:InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1
Synonyms:Rabeprazole
Definition date:2010-11-09
Last modified:2021-03-01
Identifier:2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole
S02
S02
Name:PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER
Formula:C18 H31 O7 P
SMILES:O=P(O)(O)OCCOC2CC/C(=C/C=C1CCC(OCCO)CC1)CC2
InChi:InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1
Synonyms:STILBENEDIETHER NUCLEOTIDE LINKER
Definition date:1999-08-18
Last modified:2021-03-01
Identifier:2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate
UT0
UT0
Name:1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
Formula:C19 H20 N2 O4 S
SMILES:CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O
InChi:InChI=1S/C19H20N2O4S/c1-4-25-19-8-6-15(13(2)22)11-17(19)20-16-7-5-14-9-10-21(18(14)12-16)26(3,23)24/h5-12,20H,4H2,1-3H3
Synonyms:UT07C
Definition date:2016-12-09
Last modified:2021-03-01
Release date:2017-12-20
Identifier:1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
TNC
TNC
Name:4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE
Formula:C21 H20 N2 O6
SMILES:O=C(N)C4=C(O)C3=C(O)c2c(O)c1c(O)cccc1cc2CC3C(N(C)C)C4=O
InChi:InChI=1S/C21H20N2O6/c1-23(2)16-10-7-9-6-8-4-3-5-11(24)12(8)17(25)13(9)18(26)14(10)19(27)15(20(16)28)21(22)29/h3-6,10,16,24-27H,7H2,1-2H3,(H2,22,29)/t10-,16+/m1/s1
Synonyms:DEHYDRATED SANCYCLINE
Definition date:2003-01-03
Last modified:2021-03-01
Identifier:(4S,4aR)-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydrotetracene-2-carboxamide
VN3
VN3
Name:VANADATE ION
Formula:O3 V
SMILES:O=[V-](=O)=O
InChi:InChI=1S/3O.V/q
Synonyms:METAVANADATE
Definition date:2005-07-14
Last modified:2021-03-01
Identifier:trioxovanadate(1-)
ZYC
ZYC
Name:ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Formula:C12 H14 O4
SMILES:O=C(OCC)C=Cc1cc(OC)c(O)cc1
InChi:InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
Synonyms:ethyl ferulate
Definition date:2010-10-29
Last modified:2021-03-01
Identifier:ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SFM
SFM
Name:(13E,15E)-(3S,6S,9R,10R,11S,12S,18S,21S)-10,12-DIHYDROXY-3-(3-HYDROXYBEN-ZYL)-18-((E)-3-HYDROXY-1-METHYLPROPENYL)-6-ISOPROPYL-11-METHYL-9-(3-OXO-BUTYL)-19-OXA-1,4,7,25-TETRAAZA-BICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRAONE
Formula:C39 H56 N4 O10
SMILES:O=C1OC(C(=C/CO)/C)CC=CC=CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC(C(=O)N2NC1CCC2)Cc3cccc(O)c3)C(C)C)CCC(=O)C
InChi:InChI=1S/C39H56N4O10/c1-23(2)34-37(50)40-31(22-27-11-9-12-28(46)21-27)38(51)43-19-10-13-30(42-43)39(52)53-33(24(3)18-20-44)15-8-6-7-14-32(47)26(5)35(48)29(36(49)41-34)17-16-25(4)45/h6-9,11-12,14,18,21,23,26,29-35,42,44,46-48H,10,13,15-17,19-20,22H2,1-5H3,(H,40,50)(H,41,49)/b8-6+,14-7+,24-18+/t26-,29+,30-,31-,32-,33-,34-,35+/m0/s1
Synonyms:ANALOGUE OF MACROLIDE FROM DEGRADED SANGLIFEHRIN A
Definition date:2003-03-14
Last modified:2021-03-01
Identifier:(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-10,12-dihydroxy-3-(3-hydroxybenzyl)-18-[(2E)-4-hydroxybut-2-en-2-yl]-11-methyl-9-(3-oxobutyl)-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
INR
INR
Name:2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID
Formula:C16 H10 N2 O5 S
SMILES:O=S(=O)(O)c1cc2c(cc1)NC(=O)C/2=C4C(=O)c3ccccc3N4
InChi:InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13-
Synonyms:INDIRUBIN-5-SULPHONATE
Definition date:2000-10-17
Last modified:2021-03-01
Identifier:(2Z)-2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid
TNL
TNL
Name:2,4,6-TRINITROTOLUENE
Formula:C7 H5 N3 O6
SMILES:O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1C)[N+]([O-])=O
InChi:InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
Synonyms:TNT
Definition date:2002-02-27
Last modified:2021-03-01
Identifier:2-methyl-1,3,5-trinitrobenzene
HEJ
HEJ
Name:9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine
Formula:C10 H16 N5 O13 P3
SMILES:Nc1ncnc2c1ncn2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)O)C(O)C3O
InChi:InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1
Synonyms:Vidarabine-TRIPHOSPHATE
Definition date:2018-06-27
Last modified:2021-03-01
Release date:2018-10-24
Identifier:9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine
SFT
SFT
Name:SULFOGALACTOCERAMIDE
Formula:C48 H93 N O12 S
SMILES:O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO
InChi:InChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1
Synonyms:SULFATIDE
Definition date:2005-01-12
Last modified:2021-03-01
Identifier:(2R)-2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracosanamide
SU1
SU1
Name:3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE
Formula:C17 H16 N2 O3
SMILES:O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C
InChi:InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
Synonyms:SU5402
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
TNN
TNN
Name:(1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione
Formula:C27 H19 N O8
SMILES:CC(O)C15OC16c4cc(O)c3C(=O)c2ccc(OC)c(O)c2C(=O)c3c4NC5C#CC=CC#CC6O
InChi:InChI=1S/C27H19NO8/c1-12(29)26-17-7-5-3-4-6-8-18(31)27(26,36-26)14-11-15(30)20-21(22(14)28-17)25(34)19-13(23(20)32)9-10-16(35-2)24(19)33/h3-4,9-12,17-18,28-31,33H,1-2H3/b4-3-/t12-,17+,18-,26+,27+/m1/s1
Synonyms:tiancimycin
Definition date:2017-02-09
Last modified:2021-03-01
Release date:2018-07-04
Identifier:(1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione
W33
W33
Name:5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
Formula:C18 H21 Cl N2 O3
SMILES:Clc2c(OCCCCCc1onc(c1)C)ccc(c2)C3=NCCO3
InChi:InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3
Synonyms:COMPOUND VII
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole
T98
T98
Name:5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
Formula:C16 H15 N3 O S
SMILES:N#Cc3ccc(c1ccc2NC(=S)OC(c2c1)(C)C)n3C
InChi:InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
Synonyms:TANAPROGET
Definition date:2005-06-17
Last modified:2021-03-01
Identifier:5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile
RMA
RMA
Name:N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE
Formula:C13 H15 N
SMILES:C#CCN(C)C2c1ccccc1CC2
InChi:InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1
Synonyms:N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN
Definition date:2004-01-15
Last modified:2021-03-01
Identifier:(1R)-N-methyl-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine
SFY
SFY
Name:4-amino-N-(pyridin-2-yl)benzenesulfonamide
Formula:C11 H11 N3 O2 S
SMILES:O=S(=O)(Nc1ncccc1)c2ccc(N)cc2
InChi:InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
Synonyms:Sulfapyridine
Definition date:2012-11-09
Last modified:2021-03-01
Release date:2013-06-05
Identifier:4-amino-N-(pyridin-2-yl)benzenesulfonamide
SU9
SU9
Name:(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE
Formula:C13 H11 N3 O2
SMILES:O=C/1Nc3ccc(OC)cc3C1=C/c2cncn2
InChi:InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
Synonyms:SU9516
Definition date:2003-05-27
Last modified:2021-03-01
Identifier:(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one
SUA
SUA
Name:(4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER
Formula:C13 H14 N2 O3 S3
SMILES:O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2
InChi:InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17)
Synonyms:Carbonic Anhydrase II inhibitor 16923
Definition date:2002-06-06
Last modified:2021-03-01
Identifier:O-[2-(thiophen-3-yl)ethyl] (4-sulfamoylphenyl)carbamothioate
TNV
TNV
Name:[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE
Formula:C9 H16 N5 O10 P3
SMILES:C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
InChi:InChI=1S/C9H16N5O10P3/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)22-5-25(15,16)23-27(20,21)24-26(17,18)19/h3-4,6H,2,5H2,1H3,(H,15,16)(H,20,21)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1
Synonyms:TENOFOVIR-DIPHOSPHATE
Definition date:2004-04-21
Last modified:2021-03-01
Identifier:[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid
UGA
UGA
Name:URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
Formula:C15 H22 N2 O18 P2
SMILES:O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O
InChi:InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
Synonyms:UDP-GLUCURONIC ACID
Definition date:1999-12-13
Last modified:2021-03-01
Identifier:(2S,3S,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
ZIO
ZIO
Name:(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE
Formula:C35 H61 N O12
SMILES:O=C4C(C)C(O)C(C)C(OC(=O)C(C(OC1OC(C(O)C(OC)C1)C)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC43OC3)C)C
InChi:InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35-/m0/s1
Synonyms:OLEANDOMYCIN
Definition date:2006-07-13
Last modified:2021-03-01
Identifier:(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside
ZIP
ZIP
Name:N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
Formula:C10 H13 N5
SMILES:n2c1c(ncn1)c(nc2)NCC=C(/C)C
InChi:InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
Synonyms:ISOPENTENYLADENINE
Definition date:2004-06-23
Last modified:2021-03-01
Identifier:N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine
ZYX
ZYX
Name:4-(2-AMINOETHYL)BENZENESULFONAMIDE
Formula:C8 H12 N2 O2 S
SMILES:O=S(=O)(c1ccc(cc1)CCN)N
InChi:InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
Synonyms:P-AMINOETHYL BENZENESULFONAMIDE
Definition date:2006-10-30
Last modified:2021-03-01
Identifier:4-(2-aminoethyl)benzenesulfonamide

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PDB entries from 2025-07-16

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