Chemie Search results for query - 日本蛋白质结构数据库

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 2013 results BIRD

JR8

JR8
Name:	4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide
Formula:	C25 H31 Cl Ir N3 O4 S
SMILES:	[Ir].CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCCN(Cl)C(=O)c3cc(O)ccn3)cc2
InChi:	InChI=1S/C15H16ClN3O4S.C10H15.Ir/c16-19(15(21)14-10-12(20)7-8-18-14)9-1-2-11-3-5-13(6-4-11)24(17,22)23
Definition date:	2019-01-11
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide

EUB

EUB
Name:	4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile
Formula:	C15 H11 N3 O S
SMILES:	Nc1sc2cc(OCc3ccc(cc3)C#N)ccc2n1
InChi:	InChI=1S/C15H11N3OS/c16-8-10-1-3-11(4-2-10)9-19-12-5-6-13-14(7-12)20-15(17)18-13/h1-7H,9H2,(H2,17,18)
Definition date:	2018-04-18
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile

EBK

EBK
Name:	2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
Formula:	C22 H26 Cl2 N6 O2 S
SMILES:	CN1CCN(CC1)c2cc(ccn2)c3cc(Cl)c(c(Cl)c3)[S](=O)(=O)Nc4c(C)nn(C)c4C
InChi:	InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3
Definition date:	2018-03-13
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

LUD

LUD
Name:	N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid
Formula:	C20 H21 N7 O7
SMILES:	N=4C2=C(N3C(N(c1ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)CC3CN2)=O)C(=O)NC=4N
InChi:	InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1
Definition date:	2019-03-14
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid

EJK

EJK
Name:	4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile
Formula:	C19 H14 Cl F4 N O6
SMILES:	OC[CH]1O[CH](Oc2ccc(cc2Cl)c3c(F)c(F)c(C#N)c(F)c3F)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C19H14ClF4NO6/c20-8-3-6(11-14(23)12(21)7(4-25)13(22)15(11)24)1-2-9(8)30-19-18(29)17(28)16(27)10(5-26)31-19/h1-3,10,16-19,26-29H,5H2/t10-,16-,17+,18+,19+/m1/s1
Definition date:	2018-03-23
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile

9KF

9KF
Name:	ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate
Formula:	C18 H18 O3
SMILES:	CCOC(=O)C(C)c1cccc(c1)C(=O)c2ccccc2
InChi:	InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3/t13-/m0/s1
Definition date:	2018-05-21
Last modified:	2019-03-08
Release date:	2019-03-13
Identifier:	ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate

9M6

9M6
Name:	2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
Formula:	C27 H29 N O3 S
SMILES:	OCC[S](=O)(=O)c1ccc(cc1)c2ccc(C3CCCC3)c(c2)[CH]4C[CH]4c5ccccn5
InChi:	InChI=1S/C27H29NO3S/c29-15-16-32(30,31)22-11-8-19(9-12-22)21-10-13-23(20-5-1-2-6-20)24(17-21)25-18-26(25)27-7-3-4-14-28-27/h3-4,7-14,17,20,25-26,29H,1-2,5-6,15-16,18H2/t25-,26-/m0/s1
Definition date:	2018-06-03
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol

9MC

9MC
Name:	2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
Formula:	C27 H29 N O3 S
SMILES:	OCC[S](=O)(=O)c1ccc(cc1)c2ccc(C3CCCC3)c(c2)[CH]4C[CH]4c5ccccn5
InChi:	InChI=1S/C27H29NO3S/c29-15-16-32(30,31)22-11-8-19(9-12-22)21-10-13-23(20-5-1-2-6-20)24(17-21)25-18-26(25)27-7-3-4-14-28-27/h3-4,7-14,17,20,25-26,29H,1-2,5-6,15-16,18H2/t25-,26-/m1/s1
Definition date:	2018-06-03
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol

KUA

KUA
Name:	{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone
Formula:	C22 H21 N3 O4
SMILES:	C1N(CCN(C1)C(c4ccc(c3nc2c(cccc2)o3)cc4)=O)C(C5(CC5)O)=O
InChi:	InChI=1S/C22H21N3O4/c26-20(24-11-13-25(14-12-24)21(27)22(28)9-10-22)16-7-5-15(6-8-16)19-23-17-3-1-2-4-18(17)29-19/h1-8,28H,9-14H2
Definition date:	2019-01-15
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone

HVD

HVD
Name:	(1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
Formula:	C21 H30 O2
SMILES:	C=1(CCC(C(C=1)c2c(CCCCC)cc(cc2O)O)C(=C)C)C
InChi:	InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1
Definition date:	2018-07-23
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol

HVJ

HVJ
Name:	(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
Formula:	C17 H22 O2
SMILES:	c1(C)c(c(O)cc(c1)O)C2C(C(/C)=C)CCC(C)=C2
InChi:	InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1
Definition date:	2018-07-24
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol

FGD

FGD
Name:	N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid
Formula:	C21 H21 N5 O6
SMILES:	c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC(C(=O)O)CCC(=O)O)=O
InChi:	InChI=1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)/t16-/m1/s1
Definition date:	2018-03-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid

BXN

BXN
Name:	4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
Formula:	C23 H33 Cl2 N5 O2 S
SMILES:	Cn1nc(C)c(N(C)[S](=O)(=O)c2c(Cl)cc(CCCN3CCN4CCC[CH]4C3)cc2Cl)c1C
InChi:	InChI=1S/C23H33Cl2N5O2S/c1-16-22(17(2)27(3)26-16)28(4)33(31,32)23-20(24)13-18(14-21(23)25)7-5-9-29-11-12-30-10-6-8-19(30)15-29/h13-14,19H,5-12,15H2,1-4H3/t19-/m1/s1
Definition date:	2017-10-28
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

DKQ

DKQ
Name:	4-chloranylbenzenecarboximidamide
Formula:	C7 H7 Cl N2
SMILES:	NC(=N)c1ccc(Cl)cc1
InChi:	InChI=1S/C7H7ClN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
Definition date:	2018-01-23
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	4-chloranylbenzenecarboximidamide

D4W

D4W
Name:	4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol
Formula:	C15 H11 Cl N2 O2
SMILES:	Oc1ccc(c(O)c1)c2ccnn2c3ccccc3Cl
InChi:	InChI=1S/C15H11ClN2O2/c16-12-3-1-2-4-14(12)18-13(7-8-17-18)11-6-5-10(19)9-15(11)20/h1-9,19-20H
Definition date:	2017-12-21
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol

HAW

HAW
Name:	2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
Formula:	C28 H23 N7 O2 S
SMILES:	Cn1ccc2ccc(cc12)c3cc(Nc4ccccc4[S](=O)(=O)NCc5cncnc5)cc6nccnc36
InChi:	InChI=1S/C28H23N7O2S/c1-35-11-8-20-6-7-21(12-26(20)35)23-13-22(14-25-28(23)32-10-9-31-25)34-24-4-2-3-5-27(24)38(36,37)33-17-19-15-29-18-30-16-19/h2-16,18,33-34H,17H2,1H3
Definition date:	2018-12-03
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide

JYS

JYS
Name:	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione
Formula:	C21 H17 Br F N3 O3
SMILES:	c1cc(c2c(c1F)ncc2C(=O)C(N3CCN(CC3)C(=O)c4ccccc4)=O)Br
InChi:	InChI=1S/C21H17BrFN3O3/c22-15-6-7-16(23)18-17(15)14(12-24-18)19(27)21(29)26-10-8-25(9-11-26)20(28)13-4-2-1-3-5-13/h1-7,12,24H,8-11H2
Definition date:	2018-10-23
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione

KJD

KJD
Name:	4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide
Formula:	C17 H13 F2 N3 O3 S
SMILES:	c1(cnc(N)c(c1)c2cc(F)c(c(c2)F)O)c3ccc(cc3)S(N)(=O)=O
InChi:	InChI=1S/C17H13F2N3O3S/c18-14-6-10(7-15(19)16(14)23)13-5-11(8-22-17(13)20)9-1-3-12(4-2-9)26(21,24)25/h1-8,23H,(H2,20,22)(H2,21,24,25)
Definition date:	2018-12-14
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide

F0Z

F0Z
Name:	2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol
Formula:	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)
Definition date:	2018-05-16
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol

93S

93S
Name:	N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)
Formula:	C20 H24 Cl2 N4 O7 S2
SMILES:	C(=O)(NS(c1cc(Cl)ccc1)(=O)=O)NCCCOCCCNC(=O)NS(c2cc(Cl)ccc2)(=O)=O
InChi:	InChI=1S/C20H24Cl2N4O7S2/c21-15-5-1-7-17(13-15)34(29,30)25-19(27)23-9-3-11-33-12-4-10-24-20(28)26-35(31,32)18-8-2-6-16(22)14-18/h1-2,5-8,13-14H,3-4,9-12H2,(H2,23,25,27)(H2,24,26,28)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)

93Y

93Y
Name:	N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
Formula:	C20 H24 Cl2 N4 O6 S2
SMILES:	C(=O)(NCCCCCCNC(=O)NS(c1cccc(c1)Cl)(=O)=O)NS(c2cc(Cl)ccc2)(=O)=O
InChi:	InChI=1S/C20H24Cl2N4O6S2/c21-15-7-5-9-17(13-15)33(29,30)25-19(27)23-11-3-1-2-4-12-24-20(28)26-34(31,32)18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H2,23,25,27)(H2,24,26,28)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)

94G

94G
Name:	N-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide
Formula:	C12 H9 Br Cl N3 O3 S
SMILES:	c1(nccc(c1)Br)NC(=O)NS(c2ccc(Cl)cc2)(=O)=O
InChi:	InChI=1S/C12H9BrClN3O3S/c13-8-5-6-15-11(7-8)16-12(18)17-21(19,20)10-3-1-9(14)2-4-10/h1-7H,(H2,15,16,17,18)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	N-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide

94J

94J
Name:	N,N'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
Formula:	C19 H22 Cl2 N4 O6 S2
SMILES:	C(=O)(NCCCCCNC(=O)NS(c1cccc(c1)Cl)(=O)=O)NS(c2cc(Cl)ccc2)(=O)=O
InChi:	InChI=1S/C19H22Cl2N4O6S2/c20-14-6-4-8-16(12-14)32(28,29)24-18(26)22-10-2-1-3-11-23-19(27)25-33(30,31)17-9-5-7-15(21)13-17/h4-9,12-13H,1-3,10-11H2,(H2,22,24,26)(H2,23,25,27)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	N,N'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)

94S

94S
Name:	N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide
Formula:	C15 H18 Br N3 O4 S2
SMILES:	C(=O)(NS(c1cc(CC(C)C)c(cc1)OC)(=O)=O)Nc2sc(Br)cn2
InChi:	InChI=1S/C15H18BrN3O4S2/c1-9(2)6-10-7-11(4-5-12(10)23-3)25(21,22)19-14(20)18-15-17-8-13(16)24-15/h4-5,7-9H,6H2,1-3H3,(H2,17,18,19,20)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide

94V

94V
Name:	N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
Formula:	C10 H7 Br Cl N3 O3 S2
SMILES:	c1(sc(nc1)NC(=O)NS(c2ccccc2Cl)(=O)=O)Br
InChi:	InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15,16)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide

<31 32 33 34 35 36 373839 40 41 42 43 44 45 46 >

222415

数据于2024-07-10公开中

PDB statistics

PDBj update info

Contact PDBj

numon