Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
9C6
9C6
表記:9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
組成式:C19 H16 N2 O3 S
SMILES:N41CCS(=O)(=O)N=C1C(c2ccc(cc2)Oc3ccccc3)=CC=C4
InChi:InChI=1S/C19H16N2O3S/c22-25(23)14-13-21-12-4-7-18(19(21)20-25)15-8-10-17(11-9-15)24-16-5-2-1-3-6-16/h1-12H,13-14H2
定義日:2018-03-09
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
BKP
BKP
表記:5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
組成式:C10 H17 N5 O17 P4
SMILES:P(O)(=O)(OP(O)(OP(O)(O)=O)=O)OP(OCC1OC(C(C1O)O)n2cnc3C(=O)N=C(N)Nc23)(O)=O
InChi:InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(29-9)1-28-34(22,23)31-36(26,27)32-35(24,25)30-33(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H,26,27)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
定義日:2017-08-14
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
92U
92U
表記:[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
組成式:C15 H18 N4 O4 S
SMILES:CCN1c2ccc(cc2N(CC)[S]1(=O)=O)C(=O)c3cnn(C)c3O
InChi:InChI=1S/C15H18N4O4S/c1-4-18-12-7-6-10(8-13(12)19(5-2)24(18,22)23)14(20)11-9-16-17(3)15(11)21/h6-9,21H,4-5H2,1-3H3
定義日:2017-12-07
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
92X
92X
表記:1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
組成式:C24 H22 N2 O5
SMILES:CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4C
InChi:InChI=1S/C24H22N2O5/c1-13-7-4-5-8-16(13)26-23(30)20-14(2)15(11-12-17(20)25(3)24(26)31)22(29)21-18(27)9-6-10-19(21)28/h4-5,7-8,11-12,27H,6,9-10H2,1-3H3
定義日:2017-12-07
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
94L
94L
表記:3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
組成式:C24 H22 N2 O5
SMILES:CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4c(C)cccc4C
InChi:InChI=1S/C24H22N2O5/c1-13-6-4-7-14(2)21(13)26-23(30)16-12-15(10-11-17(16)25(3)24(26)31)22(29)20-18(27)8-5-9-19(20)28/h4,6-7,10-12,27H,5,8-9H2,1-3H3
定義日:2017-12-14
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
95D
95D
表記:2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1H-indol-7-yl)oxy]acetamide
組成式:C15 H14 Br N5 O5 S2
SMILES:c2c(c1cccc(OCC(N)=O)c1n2C)S(NC(=O)Nc3sc(Br)cn3)(=O)=O
InChi:InChI=1S/C15H14BrN5O5S2/c1-21-6-10(8-3-2-4-9(13(8)21)26-7-12(17)22)28(24,25)20-14(23)19-15-18-5-11(16)27-15/h2-6H,7H2,1H3,(H2,17,22)(H2,18,19,20,23)
定義日:2017-04-03
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1H-indol-7-yl)oxy]acetamide
C8A
C8A
表記:{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
組成式:C14 H17 N O6 P2
SMILES:c2(Cc1ccccc1)ccc(NC(P(O)(O)=O)P(O)(=O)O)cc2
InChi:InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)
定義日:2017-09-18
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
BOY
BOY
表記:[(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid
組成式:C8 H11 O4 P
SMILES:Cc1ccc(cc1)C(P(O)(O)=O)O
InChi:InChI=1S/C8H11O4P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)/t8-/m1/s1
定義日:2017-08-21
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:[(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid
BWJ
BWJ
表記:{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)
組成式:C7 H9 Cl2 N O6 P2
SMILES:c1c(Cl)cc(NC(P(O)(O)=O)P(O)(=O)O)cc1Cl
InChi:InChI=1S/C7H9Cl2NO6P2/c8-4-1-5(9)3-6(2-4)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)
定義日:2017-08-30
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)
EGP
EGP
表記:N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
組成式:C31 H39 N7 O2 S
SMILES:n2(cc(CN1CCN(C)CC1)c3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N6CCOCC6
InChi:InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)
定義日:2018-01-10
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
EH1
EH1
表記:4-cyclohexylbenzoic acid
組成式:C13 H16 O2
SMILES:C1(CCCCC1)c2ccc(C(=O)O)cc2
InChi:InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
定義日:2018-01-10
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:4-cyclohexylbenzoic acid
EHY
EHY
表記:N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
組成式:C14 H15 N3 S
SMILES:c1ccc(cc1)CCNC(Nc2cccnc2)=S
InChi:InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18)
定義日:2018-01-11
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
EJD
EJD
表記:4-(thiophen-3-yl)benzoic acid
組成式:C11 H8 O2 S
SMILES:c1(ccsc1)c2ccc(C(O)=O)cc2
InChi:InChI=1S/C11H8O2S/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H,(H,12,13)
定義日:2018-01-13
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:4-(thiophen-3-yl)benzoic acid
EJV
EJV
表記:4-heptylbenzoic acid
組成式:C14 H20 O2
SMILES:c1cc(ccc1C(O)=O)CCCCCCC
InChi:InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
定義日:2018-01-15
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:4-heptylbenzoic acid
EKA
EKA
表記:[cyclohexyl(hydroxy)amino](oxo)acetic acid
組成式:C8 H13 N O4
SMILES:C(C(N(C1CCCCC1)O)=O)(O)=O
InChi:InChI=1S/C8H13NO4/c10-7(8(11)12)9(13)6-4-2-1-3-5-6/h6,13H,1-5H2,(H,11,12)
定義日:2018-01-16
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:[cyclohexyl(hydroxy)amino](oxo)acetic acid
EKD
EKD
表記:(cyclohexylamino)(oxo)acetic acid
組成式:C8 H13 N O3
SMILES:C(C(NC1CCCCC1)=O)(O)=O
InChi:InChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12)
定義日:2018-01-16
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:(cyclohexylamino)(oxo)acetic acid
EKV
EKV
表記:N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
組成式:C28 H37 N O2 Si
SMILES:CC(C#CC#CCN(Cc1cc(ccc1)OC[Si](c2ccccc2C)(C)C)CC)(OC)C
InChi:InChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3
定義日:2018-01-19
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
EMV
EMV
表記:(2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine
組成式:C27 H31 N O S2
SMILES:c2c(c1cscc1)csc2COc3cccc(c3)CN(CC=CC#CC(C)(C)C)CC
InChi:InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+
定義日:2018-01-22
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:(2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine
F0A
F0A
表記:3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
組成式:C27 H33 N O4
SMILES:O=C(N)c1cc(ccc1)CC4C(O)C3(CCC5c2cc(c(cc2CCC5C3C4)O)OC)C
InChi:InChI=1S/C27H33NO4/c1-27-9-8-19-20(7-6-16-13-23(29)24(32-2)14-21(16)19)22(27)12-18(25(27)30)11-15-4-3-5-17(10-15)26(28)31/h3-5,10,13-14,18-20,22,25,29-30H,6-9,11-12H2,1-2H3,(H2,28,31)/t18-,19-,20+,22-,25-,27-/m0/s1
定義日:2018-02-22
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
F0D
F0D
表記:3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
組成式:C28 H34 Br N O2
SMILES:c1cc(CCBr)cc2c1C3C(CC2)C4C(CC3)(C(O)C(C4)Cc5cc(ccc5)C(N)=O)C
InChi:InChI=1S/C28H34BrNO2/c1-28-11-9-23-22-7-5-17(10-12-29)13-19(22)6-8-24(23)25(28)16-21(26(28)31)15-18-3-2-4-20(14-18)27(30)32/h2-5,7,13-14,21,23-26,31H,6,8-12,15-16H2,1H3,(H2,30,32)/t21-,23+,24+,25-,26-,28-/m0/s1
定義日:2018-02-22
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
F0J
F0J
表記:2,4-dimethoxyphenol
組成式:C8 H10 O3
SMILES:COc1ccc(c(OC)c1)O
InChi:InChI=1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,9H,1-2H3
定義日:2018-02-22
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:2,4-dimethoxyphenol
F0Z
F0Z
表記:2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol
組成式:C10 H12 N2 S
SMILES:Sc1ccccc1C2=NCCCN2
InChi:InChI=1S/C10H12N2S/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)
定義日:2018-05-16
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol
FFN
FFN
表記:5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one
組成式:C13 H9 F N2 O S
SMILES:CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1
InChi:InChI=1S/C13H9FN2OS/c1-7-15-12(17)11-10(6-18-13(11)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17)
定義日:2018-06-27
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one
FHJ
FHJ
表記:dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
組成式:C25 H27 N O5
SMILES:c1cc(ccc1)NC(C32C(C(=O)OC)C(C(O2)C=C3)C(=O)OC)Cc4ccc(cc4)C
InChi:InChI=1S/C25H27NO5/c1-16-9-11-17(12-10-16)15-20(26-18-7-5-4-6-8-18)25-14-13-19(31-25)21(23(27)29-2)22(25)24(28)30-3/h4-14,19-22,26H,15H2,1-3H3/t19-,20+,21+,22-,25-/m1/s1
定義日:2018-04-02
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
FK4
FK4
表記:S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1H-pyrrole-2-carbothioate
組成式:C16 H26 N3 O7 P S
SMILES:OP(OCC(C)(C)C(O)C(NCCC(=O)NCCSC(=O)c1cccn1)=O)=O
InChi:InChI=1S/C16H26N3O7PS/c1-16(2,10-26-27(24)25)13(21)14(22)19-7-5-12(20)18-8-9-28-15(23)11-4-3-6-17-11/h3-4,6,13,17,21,27H,5,7-10H2,1-2H3,(H,18,20)(H,19,22)(H,24,25)/t13-/m0/s1
定義日:2018-04-05
最終更新日:2019-01-11
公開日:2019-01-16
識別子（ID）:S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1H-pyrrole-2-carbothioate

223166

件を2024-07-31に公開中

PDB statisticsPDBj update infoContact PDBjnumon