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7CG

7CG
Name:	2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
Formula:	C16 H14 Br2 N2 O3 S
SMILES:	c3c(S(=O)(Nc1cc(ccc1)N2CCCC2=O)=O)c(Br)ccc3Br
InChi:	InChI=1S/C16H14Br2N2O3S/c17-11-6-7-14(18)15(9-11)24(22,23)19-12-3-1-4-13(10-12)20-8-2-5-16(20)21/h1,3-4,6-7,9-10,19H,2,5,8H2
Definition date:	2016-10-04
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide

7CJ

7CJ
Name:	3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
Formula:	C16 H15 F N2 O3 S
SMILES:	C3CCN(c2cccc(NS(=O)(c1cccc(c1)F)=O)c2)C3=O
InChi:	InChI=1S/C16H15FN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-2,4-7,10-11,18H,3,8-9H2
Definition date:	2016-10-04
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide

7CM

7CM
Name:	3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
Formula:	C16 H14 Cl F N2 O3 S
SMILES:	c2c(NS(=O)(c1ccc(c(c1)Cl)F)=O)cccc2N3CCCC3=O
InChi:	InChI=1S/C16H14ClFN2O3S/c17-14-10-13(6-7-15(14)18)24(22,23)19-11-3-1-4-12(9-11)20-8-2-5-16(20)21/h1,3-4,6-7,9-10,19H,2,5,8H2
Definition date:	2016-10-04
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide

7CN

7CN
Name:	3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide
Formula:	C16 H13 Br N2 O3 S
SMILES:	C3C(N(c2cccc(NS(=O)(=O)c1cccc(Br)c1)c2)C=C3)=O
InChi:	InChI=1S/C16H13BrN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-7,9-11,18H,8H2
Definition date:	2016-10-04
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide

7CO

7CO
Name:	2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
Formula:	C16 H14 F2 N2 O3 S
SMILES:	c2c(NS(=O)(c1c(F)cccc1F)=O)cccc2N3CCCC3=O
InChi:	InChI=1S/C16H14F2N2O3S/c17-13-6-2-7-14(18)16(13)24(22,23)19-11-4-1-5-12(10-11)20-9-3-8-15(20)21/h1-2,4-7,10,19H,3,8-9H2
Definition date:	2016-10-04
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide

69C

69C
Name:	(6R)-3-(methylsulfanyl)-6-phenyl-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one
Formula:	C17 H15 N3 O S2
SMILES:	S(C)c2c4c(c(c1nncc1)s2)CC(c3ccccc3)NC4=O
InChi:	InChI=1S/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/m1/s1
Definition date:	2016-02-19
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	(6R)-3-(methylsulfanyl)-6-phenyl-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one

6EX

6EX
Name:	1-(1H-imidazol-1-yl)ethan-1-one
Formula:	C5 H6 N2 O
SMILES:	CC(n1cncc1)=O
InChi:	InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
Definition date:	2016-03-24
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	1-(1H-imidazol-1-yl)ethan-1-one

9QK

9QK
Name:	2-(3-fluorophenyl)quinoline-4-carboxylic acid
Formula:	C16 H10 F N O2
SMILES:	OC(=O)c1cc(nc2ccccc12)c3cccc(F)c3
InChi:	InChI=1S/C16H10FNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)
Definition date:	2017-06-28
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	2-(3-fluorophenyl)quinoline-4-carboxylic acid

9QT

9QT
Name:	2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid
Formula:	C16 H9 Cl F N O2
SMILES:	OC(=O)c1cc(nc2ccccc12)c3cc(F)cc(Cl)c3
InChi:	InChI=1S/C16H9ClFNO2/c17-10-5-9(6-11(18)7-10)15-8-13(16(20)21)12-3-1-2-4-14(12)19-15/h1-8H,(H,20,21)
Definition date:	2017-06-29
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid

A9Y

A9Y
Name:	(3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one
Formula:	C19 H14 N4 O3
SMILES:	c1c2c(ccc1)C(OC2=O)c3c(C)nn(c3O)c5nc4ccccc4n5
InChi:	InChI=1S/C19H14N4O3/c1-10-15(16-11-6-2-3-7-12(11)18(25)26-16)17(24)23(22-10)19-20-13-8-4-5-9-14(13)21-19/h2-9,16,24H,1H3,(H,20,21)/t16-/m1/s1
Definition date:	2017-07-13
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	(3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one

9FQ

9FQ
Name:	(3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol
Formula:	C7 H12 O8 S
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[S](=O)(=O)O[CH]12
InChi:	InChI=1S/C7H12O8S/c8-1-2-3(9)4(10)5(11)7-6(2)14-16(12,13)15-7/h2-11H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1
Definition date:	2017-05-17
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	(3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol

93Z

93Z
Name:	[(1~{S},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
Formula:	C7 H14 O9 S
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O
InChi:	InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3-,4+,5-,6+,7+/m1/s1
Definition date:	2017-04-17
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	[(1~{S},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate

945

945
Name:	[(1~{R},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
Formula:	C7 H14 O9 S
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O
InChi:	InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1
Definition date:	2017-04-17
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	[(1~{R},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate

948

948
Name:	(1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
Formula:	C7 H13 N O4
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12
InChi:	InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3+,4+,5+,6-,7-/m0/s1
Definition date:	2017-04-17
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	(1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol

94B

94B
Name:	(1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
Formula:	C7 H13 N O4
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12
InChi:	InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3-,4-,5+,6-,7-/m0/s1
Definition date:	2017-04-17
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	(1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol

94E

94E
Name:	(3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol
Formula:	C7 H12 O8 S
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[S](=O)(=O)O[CH]12
InChi:	InChI=1S/C7H12O8S/c8-1-2-3(9)4(10)5(11)7-6(2)14-16(12,13)15-7/h2-11H,1H2/t2-,3-,4+,5-,6+,7-/m1/s1
Definition date:	2017-04-17
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	(3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol

6SD

6SD
Name:	3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine
Formula:	C10 H11 N3 O
SMILES:	COc1ccc(cc1)c2cc(N)[nH]n2
InChi:	InChI=1S/C10H11N3O/c1-14-8-4-2-7(3-5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
Definition date:	2016-06-14
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine

6SF

6SF
Name:	2-[3,4-bis(chloranyl)phenoxy]ethanamine
Formula:	C8 H9 Cl2 N O
SMILES:	NCCOc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C8H9Cl2NO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,3-4,11H2
Definition date:	2016-06-14
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	2-[3,4-bis(chloranyl)phenoxy]ethanamine

6SL

6SL
Name:	2-pyridin-3-yl-1~{H}-benzimidazole
Formula:	C12 H9 N3
SMILES:	[nH]1c2ccccc2nc1c3cccnc3
InChi:	InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15)
Definition date:	2016-06-15
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	2-pyridin-3-yl-1~{H}-benzimidazole

6SN

6SN
Name:	5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine
Formula:	C9 H7 Cl2 N3
SMILES:	Nc1cc([nH]n1)c2ccc(Cl)c(Cl)c2
InChi:	InChI=1S/C9H7Cl2N3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
Definition date:	2016-06-15
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine

6SO

6SO
Name:	2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine
Formula:	C10 H11 Cl N2
SMILES:	NCCc1c[nH]c2ccc(Cl)cc12
InChi:	InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
Definition date:	2016-06-15
Last modified:	2017-08-04
Release date:	2017-08-09
Identifier:	2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine

ZI6

ZI6
Name:	3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide
Formula:	C18 H10 Br F5 N2 O3
SMILES:	NC(=O)c1c(F)ccc(OCc2oc(Br)c(n2)c3ccc(cc3)C(F)(F)F)c1F
InChi:	InChI=1S/C18H10BrF5N2O3/c19-16-15(8-1-3-9(4-2-8)18(22,23)24)26-12(29-16)7-28-11-6-5-10(20)13(14(11)21)17(25)27/h1-6H,7H2,(H2,25,27)
Definition date:	2017-04-06
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide

ZI7

ZI7
Name:	2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
Formula:	C15 H8 F5 N3 O2 S
SMILES:	NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C(F)(F)F)c1F
InChi:	InChI=1S/C15H8F5N3O2S/c16-7-1-2-9(12(17)11(7)13(21)24)25-5-10-23-8-3-6(15(18,19)20)4-22-14(8)26-10/h1-4H,5H2,(H2,21,24)
Definition date:	2017-04-06
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide

XZ4

XZ4
Name:	methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate
Formula:	C20 H18 F2 N4 O6
SMILES:	COC(=O)CNC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3nc(OC)ccc13
InChi:	InChI=1S/C20H18F2N4O6/c1-31-14-6-5-12-17(23-9-15(27)32-2)16(20(29)26(30)18(12)25-14)19(28)24-8-10-3-4-11(21)7-13(10)22/h3-7,23,30H,8-9H2,1-2H3,(H,24,28)
Definition date:	2017-04-11
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate

OUY

OUY
Name:	methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate
Formula:	C20 H18 F2 N4 O5
SMILES:	COC(=O)CCc1cnc2N(O)C(=O)C(=C(N)c2c1)C(=O)NCc3ccc(F)cc3F
InChi:	InChI=1S/C20H18F2N4O5/c1-31-15(27)5-2-10-6-13-17(23)16(20(29)26(30)18(13)24-8-10)19(28)25-9-11-3-4-12(21)7-14(11)22/h3-4,6-8,30H,2,5,9,23H2,1H3,(H,25,28)
Definition date:	2016-12-09
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate

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