Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
BVP
BVP
Name:(E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:C11 H14 Br N2 O8 P
SMILES:Br[C@H]=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C11H14BrN2O8P/c12-2-1-6-4-14(11(17)13-10(6)16)9-3-7(15)8(22-9)5-21-23(18,19)20/h1-2,4,7-9,15H,3,5H2,(H,13,16,17)(H2,18,19,20)/b2-1+/t7-,8+,9+/m0/s1
Synonyms:BVDU-MP
Definition date:2003-03-31
Last modified:2020-06-17
Identifier:5-[(E)-2-bromoethenyl]-2'-deoxyuridine 5'-(dihydrogen phosphate)
BW2
BW2
Name:N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
Formula:C20 H19 N5 O8 S
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)S(=O)(=O)Nc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O
InChi:InChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29)
Synonyms:BW2315U89UC
Definition date:2003-06-12
Last modified:2020-06-17
Identifier:N-({4-[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)sulfamoyl]phenyl}carbonyl)glutamic acid
BWD
BWD
Name:2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
Formula:C7 H8 Br N3 O4
SMILES:O=C(O)C(N)CN1C=C(Br)C(=O)NC1=O
InChi:InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
Synonyms:BROMO-WILLARDIINE
Definition date:2002-09-19
Last modified:2020-06-17
Identifier:3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
7JG
7JG
Name:5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:C20 H12 F2 N2 O2
SMILES:Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14
InChi:InChI=1S/C20H12F2N2O2/c21-13-5-1-11(2-6-13)15-9-16(25)19-18(20(26)24-10-23-19)17(15)12-3-7-14(22)8-4-12/h1-10,25H,(H,23,24,26)
Synonyms:5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
7JJ
7JJ
Name:5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:C14 H8 Cl F N2 O2
SMILES:Oc1cc(c(Cl)c2C(=O)NC=Nc12)c3ccc(F)cc3
InChi:InChI=1S/C14H8ClFN2O2/c15-12-9(7-1-3-8(16)4-2-7)5-10(19)13-11(12)14(20)18-6-17-13/h1-6,19H,(H,17,18,20)
Synonyms:5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
7JK
7JK
Name:6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:C19 H20 N4 O3 S
SMILES:CN1CCN(CC1)C(=O)c2sc(c(C)c2)c3cc(O)c4N=CNC(=O)c4c3
InChi:InChI=1S/C19H20N4O3S/c1-11-7-15(19(26)23-5-3-22(2)4-6-23)27-17(11)12-8-13-16(14(24)9-12)20-10-21-18(13)25/h7-10,24H,3-6H2,1-2H3,(H,20,21,25)
Synonyms:8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one
7JL
7JL
Name:6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:C8 H5 Br N2 O2
SMILES:Oc1cc(Br)cc2C(=O)NC=Nc12
InChi:InChI=1S/C8H5BrN2O2/c9-4-1-5-7(6(12)2-4)10-3-11-8(5)13/h1-3,12H,(H,10,11,13)
Synonyms:6-bromo-8-hydroxy-3H-quinazolin-4-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one
7JP
7JP
Name:6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
Formula:C26 H23 F N4 O2
SMILES:Oc1cc(cc2C(=O)N(CCCCCn3ccc4cnccc34)C=Nc12)c5ccc(F)cc5
InChi:InChI=1S/C26H23FN4O2/c27-21-6-4-18(5-7-21)20-14-22-25(24(32)15-20)29-17-31(26(22)33)12-3-1-2-11-30-13-9-19-16-28-10-8-23(19)30/h4-10,13-17,32H,1-3,11-12H2
Synonyms:6-(4-fluorophenyl)-8-hydroxy-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
7JR
7JR
Name:1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one
Formula:C12 H11 N O2
SMILES:CN1C=C(C=C(O)C1=O)c2ccccc2
InChi:InChI=1S/C12H11NO2/c1-13-8-10(7-11(14)12(13)15)9-5-3-2-4-6-9/h2-8,14H,1H3
Synonyms:3-hydroxy-1-methyl-5-phenylpyridin-2-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one
7KP
7KP
Name:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4 ,5-triol
Formula:C20 H22 O8
SMILES:OC[CH]1O[CH](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20+/m1/s1
Synonyms:glycosylated resveratrol
Definition date:2016-11-05
Last modified:2020-06-17
Release date:2017-12-20
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4,5-triol
7LB
7LB
Name:(E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine
Formula:C17 H20 N2 O
SMILES:CNC(C[C@H]=Cc1cncc(c1)Oc2ccccc2)C
InChi:InChI=1S/C17H20N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h3-6,8-14,18H,7H2,1-2H3/b8-6+/t14-/m0/s1
Synonyms:(2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine
Definition date:2016-11-09
Last modified:2020-06-17
Release date:2016-11-30
Identifier:(2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine
7MI
7MI
Name:methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate
Formula:C26 H34 O8
SMILES:COC(=O)[C]1(C)OC(=O)[CH]2[C]3(C)[CH](O)C(=O)[CH]4C(C)(C)C(=O)CC[C]4(C)[CH]3CC(=C)[C]2(C)C1=O
InChi:InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1
Synonyms:methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,6,8-tetraoxohexadecahydro-2H-n aphtho[1,2-h]isochromene-2-carboxylate
Definition date:2016-12-06
Last modified:2020-06-17
Release date:2017-07-26
Identifier:methyl (2~{S},4~{a}~{R},4~{b}~{S},5~{S},6~{a}~{S},10~{a}~{S},10~{b}~{S},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-5,6~{a},9,10,10~{b},11-hexahydro-4~{a}~{H}-naphtho[1,2-h]isochromene-2-carboxylate
7PP
7PP
Name:5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol
Formula:C21 H24 Cl N5 O2
SMILES:Clc1nc(nc2c1c(C#CCC(O)(C)C)cn2Cc3ncc(c(OC)c3C)C)N
InChi:InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)
Synonyms:EC44
Definition date:2010-06-25
Last modified:2020-06-17
Identifier:5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2-ol
7PT
7PT
Name:pentalenolactone
Formula:C15 H16 O5
SMILES:C1(C4C3(C=C1C)C2(OC2)C(=O)OCC3C(=C4)C(O)=O)C
InChi:InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1
Synonyms:(2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9 '-carboxylic acid
Definition date:2016-08-04
Last modified:2020-06-17
Release date:2016-09-14
Identifier:(2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid
7RS
7RS
Name:N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide
Formula:C20 H24 F2 N4 O
SMILES:C3N(Cc1cc(c(C)cc1)NC(=O)CNc2ccc(c(c2)F)F)CCNC3
InChi:InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27)
Synonyms:antagonist GW791343
Definition date:2016-12-02
Last modified:2020-06-17
Release date:2017-01-04
Identifier:N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide
7RV
7RV
Name:N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide
Formula:C28 H32 N4 O2 S
SMILES:C1COCCC1(CNC(=O)c2cccnc2Sc3ccccc3)N4CCN(CC4)c5ccccc5
InChi:InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33)
Synonyms:antagonist JNJ47965567
Definition date:2016-12-02
Last modified:2020-06-17
Release date:2017-01-04
Identifier:N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide
7RY
7RY
Name:N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide
Formula:C25 H34 N4 O2
SMILES:C(Nc5ccc1c(cccc1NC(CC43CC2CC(CC(C2)C3)C4)=O)n5)CNCCO
InChi:InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)/t17-,18+,19-,25-
Synonyms:antagonist AZ10606120
Definition date:2016-12-02
Last modified:2020-06-17
Release date:2017-01-04
Identifier:N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide
7WF
7WF
Name:2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
Formula:C10 H22 N2 O8 S2
SMILES:O[CH](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O
InChi:InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)/t9-,10?/m1/s1
Synonyms:POPSO
Definition date:2017-01-25
Last modified:2020-06-17
Release date:2017-04-12
Identifier:2-oxidanyl-3-[4-[(2~{R})-2-oxidanyl-3-sulfo-propyl]piperazin-1-yl]propane-1-sulfonic acid
IRB
IRB
Name:(2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid
Formula:C17 H10 Br N3 O4
SMILES:ON=C1C(Nc2ccc(cc12)C(O)=O)=C3C(=O)Nc4c(Br)cccc34
InChi:InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,19,25H,(H,20,22)(H,23,24)/b15-12-,21-14+
Synonyms:Indirubin-3'-monoxime derivative, (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-[2,3'-biindolinylidene]-5-carboxylic acid
Definition date:2009-12-01
Last modified:2020-06-17
Identifier:(2Z,3E)-2-(7-bromo-2-oxo-1H-indol-3-ylidene)-3-hydroxyimino-1H-indole-5-carboxylic acid
IRC
IRC
Name:S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methyl-pentanethioate
Formula:C27 H46 N7 O18 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(O)CC(C)C
InChi:InChI=1S/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16-,19-,20-,21+,25-/m1/s1
Synonyms:(R)-2-hydroxy-4-methylpentanoyl-CoA
Definition date:2010-07-28
Last modified:2020-06-17
Identifier:S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxy-4-methylpentanethioate (non-preferred name)
IRH
IRH
Name:isorhamnetin
Formula:C16 H12 O7
SMILES:COc1c(O)ccc(c1)C=3Oc2cc(O)cc(c2C(C=3O)=O)O
InChi:InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
Synonyms:3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Definition date:2018-08-30
Last modified:2020-06-17
Release date:2019-01-23
Identifier:3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
IRO
IRO
Name:5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:C5 H3 I N2 O4
SMILES:O=C1NC(C(=O)O)=C(I)C(=O)N1
InChi:InChI=1S/C5H3IN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
Synonyms:5-iodoorotic acid
Definition date:2012-11-19
Last modified:2020-06-17
Release date:2013-11-20
Identifier:5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
IS2
IS2
Name:[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID
Formula:C9 H12 N O4 P
SMILES:CCc1ccc(NC(=O)[P](O)(O)=O)cc1
InChi:InChI=1S/C9H12NO4P/c1-2-7-3-5-8(6-4-7)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H2,12,13,14)
Synonyms:ISO24
Definition date:2003-06-20
Last modified:2020-06-17
Identifier:(4-ethylphenyl)carbamoylphosphonic acid
ISA
ISA
Name:3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID
Formula:C9 H9 I O2 S
SMILES:Ic1ccc(cc1)CC(S)C(=O)O
InChi:InChI=1S/C9H9IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-4,8,13H,5H2,(H,11,12)/t8-/m0/s1
Synonyms:PD150606
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(2S)-3-(4-iodophenyl)-2-sulfanylpropanoic acid
ISJ
ISJ
Name:(3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
Formula:C10 H10 O6
SMILES:O=C(O)C1=CC(O/C(C(=O)O)=C)C(O)C=C1
InChi:InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
Synonyms:Chorismic Acid
Definition date:2011-08-29
Last modified:2020-06-17
Identifier:(3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid

237992

數據於2025-06-25公開中

PDB statisticsPDBj update infoContact PDBjnumon