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
N48
N48
表記:4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide
組成式:C19 H17 N3 O4 S
SMILES:O=C1C=C(C)c2c(N1C)cc(c(c2)NS(=O)(=O)c3ccc(cc3)C#N)OC
InChi:InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3
定義日:2016-08-30
最終更新日:2017-02-03
公開日:2017-02-08
識別子（ID）:4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide
V98
V98
表記:~{N}4-[(4-chlorophenyl)methyl]-~{N}4-cyclopentyl-~{N}1-(phenylmethyl)-~{N}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
組成式:C31 H38 Cl N3 O4 S2
SMILES:Clc1ccc(CN(C2CCCC2)[S](=O)(=O)c3ccc(cc3)[S](=O)(=O)N(CC4CCNCC4)Cc5ccccc5)cc1
InChi:InChI=1S/C31H38ClN3O4S2/c32-28-12-10-26(11-13-28)24-35(29-8-4-5-9-29)41(38,39)31-16-14-30(15-17-31)40(36,37)34(22-25-6-2-1-3-7-25)23-27-18-20-33-21-19-27/h1-3,6-7,10-17,27,29,33H,4-5,8-9,18-24H2
定義日:2016-12-06
最終更新日:2017-01-26
公開日:2017-02-01
識別子（ID）:~{N}4-[(4-chlorophenyl)methyl]-~{N}4-cyclopentyl-~{N}1-(phenylmethyl)-~{N}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
66Z
66Z
表記:(1~{S},4~{R})-3-azabicyclo[2.2.1]hept-5-en-2-one
組成式:C6 H7 N O
SMILES:O=C1N[CH]2C[CH]1C=C2
InChi:InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m1/s1
定義日:2016-02-10
最終更新日:2017-01-26
公開日:2017-02-01
識別子（ID）:(1~{S},4~{R})-3-azabicyclo[2.2.1]hept-5-en-2-one
NH6
NH6
表記:~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-(phenylmethyl)benzene-1,4-disulfonamide
組成式:C25 H27 Cl N2 O4 S2
SMILES:Clc1ccc(CN(C2CCCC2)[S](=O)(=O)c3ccc(cc3)[S](=O)(=O)NCc4ccccc4)cc1
InChi:InChI=1S/C25H27ClN2O4S2/c26-22-12-10-21(11-13-22)19-28(23-8-4-5-9-23)34(31,32)25-16-14-24(15-17-25)33(29,30)27-18-20-6-2-1-3-7-20/h1-3,6-7,10-17,23,27H,4-5,8-9,18-19H2
定義日:2016-12-06
最終更新日:2017-01-26
公開日:2017-02-01
識別子（ID）:~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-(phenylmethyl)benzene-1,4-disulfonamide
DL3
DL3
表記:~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
組成式:C30 H39 Cl N6 O4 S2
SMILES:CNc1nccc(CN(CC2CCNCC2)[S](=O)(=O)c3ccc(cc3)[S](=O)(=O)N(Cc4ccc(Cl)cc4)C5CCCC5)n1
InChi:InChI=1S/C30H39ClN6O4S2/c1-32-30-34-19-16-26(35-30)22-36(20-24-14-17-33-18-15-24)42(38,39)28-10-12-29(13-11-28)43(40,41)37(27-4-2-3-5-27)21-23-6-8-25(31)9-7-23/h6-13,16,19,24,27,33H,2-5,14-15,17-18,20-22H2,1H3,(H,32,34,35)
定義日:2016-12-06
最終更新日:2017-01-26
公開日:2017-02-01
識別子（ID）:~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
P35
P35
表記:4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol
組成式:C19 H23 N3 O4 S
SMILES:c1cc(O)cc(c1S(=O)(N2Cc3ccc(cc3C2)NC4CCNCC4)=O)O
InChi:InChI=1S/C19H23N3O4S/c23-17-3-4-19(18(24)10-17)27(25,26)22-11-13-1-2-16(9-14(13)12-22)21-15-5-7-20-8-6-15/h1-4,9-10,15,20-21,23-24H,5-8,11-12H2
定義日:2016-04-06
最終更新日:2017-01-20
公開日:2017-01-25
識別子（ID）:4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol
86D
86D
表記:3-({(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)-5-fluorobenzonitrile
組成式:C17 H10 F5 N O4 S
SMILES:N#Cc1cc(cc(F)c1)Oc3c2CC(F)(F)C(c2c(cc3)S(=O)(=O)C(F)F)O
InChi:InChI=1S/C17H10F5NO4S/c18-9-3-8(7-23)4-10(5-9)27-12-1-2-13(28(25,26)16(19)20)14-11(12)6-17(21,22)15(14)24/h1-5,15-16,24H,6H2/t15-/m0/s1
定義日:2017-01-06
最終更新日:2017-01-20
公開日:2017-01-25
識別子（ID）:3-({(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)-5-fluorobenzonitrile
O44
O44
表記:4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
組成式:C25 H27 F N8 O3 S
SMILES:O=S(=O)(c1ccc(cc1)CN2CCN(CC2)c3nc(C(NCC#C)=O)cc(n3)Nc4cc(nn4)C5CC5)F
InChi:InChI=1S/C25H27FN8O3S/c1-2-9-27-24(35)21-15-22(29-23-14-20(31-32-23)18-5-6-18)30-25(28-21)34-12-10-33(11-13-34)16-17-3-7-19(8-4-17)38(26,36)37/h1,3-4,7-8,14-15,18H,5-6,9-13,16H2,(H,27,35)(H2,28,29,30,31,32)
定義日:2016-06-01
最終更新日:2017-01-20
公開日:2017-01-25
識別子（ID）:4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
7EF
7EF
表記:4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol
組成式:C19 H17 F3 N2 O2
SMILES:Oc1c(ccc(c1)O)c2n(nc3c2cccc3C(F)(F)F)C[C@H]=C(C)C
InChi:InChI=1S/C19H17F3N2O2/c1-11(2)8-9-24-18(13-7-6-12(25)10-16(13)26)14-4-3-5-15(17(14)23-24)19(20,21)22/h3-8,10,25-26H,9H2,1-2H3
定義日:2016-10-14
最終更新日:2017-01-13
公開日:2017-01-18
識別子（ID）:4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol
7M1
7M1
表記:phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
組成式:C24 H18 O5 S
SMILES:Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccccc2)ccc3c4ccc(cc4)O
InChi:InChI=1S/C24H18O5S/c25-19-10-6-17(7-11-19)23-15-14-22(16-24(23)18-8-12-20(26)13-9-18)30(27,28)29-21-4-2-1-3-5-21/h1-16,25-26H
定義日:2016-11-16
最終更新日:2017-01-13
公開日:2017-01-18
識別子（ID）:phenyl 1~4~,3~4~-dihydroxy[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-sulfonate
7M7
7M7
表記:4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
組成式:C24 H17 Br O5 S
SMILES:Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccc(cc2)Br)ccc3c4ccc(cc4)O
InChi:InChI=1S/C24H17BrO5S/c25-18-5-11-21(12-6-18)30-31(28,29)22-13-14-23(16-1-7-19(26)8-2-16)24(15-22)17-3-9-20(27)10-4-17/h1-15,26-27H
定義日:2016-11-16
最終更新日:2017-01-13
公開日:2017-01-18
識別子（ID）:4-bromophenyl 1~4~,3~4~-dihydroxy[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-sulfonate
72L
72L
表記:4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide
組成式:C23 H18 N6 O2 S
SMILES:N[S](=O)(=O)c1ccc(Nc2nc3nc[nH]c3c(n2)c4cccc(c4)c5ccccc5)cc1
InChi:InChI=1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29)
定義日:2016-08-17
最終更新日:2017-01-06
公開日:2017-01-11
識別子（ID）:4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide
7BK
7BK
表記:2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
組成式:C20 H19 F N2 O2
SMILES:C[C]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c3ccccc3
InChi:InChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m0/s1
定義日:2016-09-29
最終更新日:2016-12-16
公開日:2016-12-21
識別子（ID）:2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
7BP
7BP
表記:5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile
組成式:C17 H21 F N2 O2
SMILES:CC(C)(C)[CH]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1
InChi:InChI=1S/C17H21FN2O2/c1-17(2,3)13-9-16(21)20(11-13)6-7-22-14-4-5-15(18)12(8-14)10-19/h4-5,8,13H,6-7,9,11H2,1-3H3/t13-/m1/s1
定義日:2016-09-29
最終更新日:2016-12-16
公開日:2016-12-21
識別子（ID）:5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile
7BR
7BR
表記:2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
組成式:C19 H23 F N2 O4 S
SMILES:CC1(CC[S](=O)(=O)CC1)[CH]2CN(CCOc3ccc(F)c(c3)C#N)C(=O)C2
InChi:InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1
定義日:2016-09-29
最終更新日:2016-12-16
公開日:2016-12-21
識別子（ID）:2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
7BW
7BW
表記:5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile
組成式:C15 H17 F N2 O2
SMILES:CC1(C)CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1
InChi:InChI=1S/C15H17FN2O2/c1-15(2)8-14(19)18(10-15)5-6-20-12-3-4-13(16)11(7-12)9-17/h3-4,7H,5-6,8,10H2,1-2H3
定義日:2016-09-30
最終更新日:2016-12-16
公開日:2016-12-21
識別子（ID）:5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile
7BX
7BX
表記:3-cyano-~{N}-cyclopropyl-benzenesulfonamide
組成式:C10 H10 N2 O2 S
SMILES:O=[S](=O)(NC1CC1)c2cccc(c2)C#N
InChi:InChI=1S/C10H10N2O2S/c11-7-8-2-1-3-10(6-8)15(13,14)12-9-4-5-9/h1-3,6,9,12H,4-5H2
定義日:2016-09-30
最終更新日:2016-12-16
公開日:2016-12-21
識別子（ID）:3-cyano-~{N}-cyclopropyl-benzenesulfonamide
7FM
7FM
表記:25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one
組成式:C25 H26 F3 N7 O3 S
SMILES:c4c2Nc1ncc(c(n1)NCc5c(N(CCCCC(N3c(c(c2)CC3)c4)=O)S(=O)(=O)C)nccc5)C(F)(F)F
InChi:InChI=1S/C25H26F3N7O3S/c1-39(37,38)35-11-3-2-6-21(36)34-12-9-16-13-18(7-8-20(16)34)32-24-31-15-19(25(26,27)28)22(33-24)30-14-17-5-4-10-29-23(17)35/h4-5,7-8,10,13,15H,2-3,6,9,11-12,14H2,1H3,(H2,30,31,32,33)
定義日:2016-10-18
最終更新日:2016-12-16
公開日:2016-12-21
識別子（ID）:25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one
7K4
7K4
表記:2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
組成式:C20 H19 F N2 O2
SMILES:C[C]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c3ccccc3
InChi:InChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m1/s1
定義日:2016-11-03
最終更新日:2016-12-16
公開日:2016-12-21
識別子（ID）:2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
FIJ
FIJ
表記:4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol
組成式:C18 H18 Cl2 O4
SMILES:CC1(C)C[C](C)(Oc2cc(O)c(Cl)cc12)c3cc(Cl)c(O)cc3O
InChi:InChI=1S/C18H18Cl2O4/c1-17(2)8-18(3,9-4-11(19)14(22)6-13(9)21)24-16-7-15(23)12(20)5-10(16)17/h4-7,21-23H,8H2,1-3H3/t18-/m0/s1
定義日:2015-12-14
最終更新日:2016-12-09
公開日:2016-12-14
識別子（ID）:4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol
4QQ
4QQ
表記:4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide
組成式:C22 H28 N4 O3 S
SMILES:S(=O)(=O)(c1ccc(cc1)C)NC(C(N2CCCCC2)=O)Cc3ccc(cc3)C(=N)N
InChi:InChI=1S/C22H28N4O3S/c1-16-5-11-19(12-6-16)30(28,29)25-20(22(27)26-13-3-2-4-14-26)15-17-7-9-18(10-8-17)21(23)24/h5-12,20,25H,2-4,13-15H2,1H3,(H3,23,24)/t20-/m0/s1
定義日:2016-12-06
最終更新日:2016-12-09
公開日:2016-12-14
識別子（ID）:4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide
6A8
6A8
表記:((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol
組成式:C25 H35 B N6 O5
SMILES:O=C(NC(Cc1ccc(cc1)CN)C(NC(B2OC(CO)CO2)CCCN/C(N)=N)=O)c3ccccc3
InChi:InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-16-20(15-33)37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t20-,21-,22-/m0/s1
定義日:2016-02-25
最終更新日:2016-12-09
公開日:2016-12-14
識別子（ID）:4-(aminomethyl)-Nalpha-(benzenecarbonyl)-N-{(1R)-4-carbamimidamido-1-[(4S)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]butyl}-L-phenylalaninamide
6Q0
6Q0
表記:~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide
組成式:C18 H18 N2 O3 S
SMILES:Cc1onc(C)c1c2ccc(CN[S](=O)(=O)c3ccccc3)cc2
InChi:InChI=1S/C18H18N2O3S/c1-13-18(14(2)23-20-13)16-10-8-15(9-11-16)12-19-24(21,22)17-6-4-3-5-7-17/h3-11,19H,12H2,1-2H3
定義日:2016-06-03
最終更新日:2016-12-02
公開日:2016-12-07
識別子（ID）:~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide
79K
79K
表記:Vercirnon
組成式:C22 H21 Cl N2 O4 S
SMILES:CC(C)(C)c1ccc(cc1)[S](=O)(=O)Nc2ccc(Cl)cc2C(=O)c3cc[n+]([O-])cc3
InChi:InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3
定義日:2016-09-16
最終更新日:2016-12-02
公開日:2016-12-07
識別子（ID）:4-~{tert}-butyl-~{N}-[4-chloranyl-2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-phenyl]benzenesulfonamide
7HH
7HH
表記:N-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine
組成式:C23 H19 Cl N2 O5
SMILES:N(CC(O)=O)C(c1ccc(c(c1)NC(=O)c2ccccc2)OCc3ccc(cc3)Cl)=O
InChi:InChI=1S/C23H19ClN2O5/c24-18-9-6-15(7-10-18)14-31-20-11-8-17(22(29)25-13-21(27)28)12-19(20)26-23(30)16-4-2-1-3-5-16/h1-12H,13-14H2,(H,25,29)(H,26,30)(H,27,28)
定義日:2016-10-28
最終更新日:2016-11-25
公開日:2016-11-30
識別子（ID）:N-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon