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1UT

1UT
Name:	2-[4-(dimethylamino)phenyl]-4H-chromen-4-one
Formula:	C17 H15 N O2
SMILES:	O=C1c3c(OC(=C1)c2ccc(N(C)C)cc2)cccc3
InChi:	InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-11H,1-2H3
Definition date:	2013-06-12
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-[4-(dimethylamino)phenyl]-4H-chromen-4-one

1UW

1UW
Name:	ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
Formula:	C18 H14 O4
SMILES:	O=C(OCC)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChi:	InChI=1S/C18H14O4/c1-2-21-18(20)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)22-17/h3-11H,2H2,1H3
Definition date:	2013-06-12
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate

1UZ

1UZ
Name:	4-(4-oxo-4H-chromen-2-yl)benzonitrile
Formula:	C16 H9 N O2
SMILES:	N#Cc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChi:	InChI=1S/C16H9NO2/c17-10-11-5-7-12(8-6-11)16-9-14(18)13-3-1-2-4-15(13)19-16/h1-9H
Definition date:	2013-06-13
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	4-(4-oxo-4H-chromen-2-yl)benzonitrile

1V0

1V0
Name:	2-(4-nitrophenyl)-4H-chromen-4-one
Formula:	C15 H9 N O4
SMILES:	[O-][N+](=O)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChi:	InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
Definition date:	2013-06-13
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-(4-nitrophenyl)-4H-chromen-4-one

1V1

1V1
Name:	2-(4-chlorophenyl)-4H-chromen-4-one
Formula:	C15 H9 Cl O2
SMILES:	Clc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChi:	InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
Definition date:	2013-06-13
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-(4-chlorophenyl)-4H-chromen-4-one

1V3

1V3
Name:	6-chloro-2-phenyl-4H-chromen-4-one
Formula:	C15 H9 Cl O2
SMILES:	Clc2ccc1OC(=CC(=O)c1c2)c3ccccc3
InChi:	InChI=1S/C15H9ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
Definition date:	2013-06-14
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	6-chloro-2-phenyl-4H-chromen-4-one

1V4

1V4
Name:	6-fluoro-2-phenyl-4H-chromen-4-one
Formula:	C15 H9 F O2
SMILES:	Fc2ccc1OC(=CC(=O)c1c2)c3ccccc3
InChi:	InChI=1S/C15H9FO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
Definition date:	2013-06-14
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	6-fluoro-2-phenyl-4H-chromen-4-one

1V8

1V8
Name:	2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one
Formula:	C16 H10 O4
SMILES:	O=C1c4c(OC(=C1)c3ccc2OCOc2c3)cccc4
InChi:	InChI=1S/C16H10O4/c17-12-8-15(20-13-4-2-1-3-11(12)13)10-5-6-14-16(7-10)19-9-18-14/h1-8H,9H2
Definition date:	2013-06-17
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one

1VF

1VF
Name:	2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one
Formula:	C21 H20 N2 O3
SMILES:	O=C(N1CCN(C)CC1)c4ccc(C=3Oc2ccccc2C(=O)C=3)cc4
InChi:	InChI=1S/C21H20N2O3/c1-22-10-12-23(13-11-22)21(25)16-8-6-15(7-9-16)20-14-18(24)17-4-2-3-5-19(17)26-20/h2-9,14H,10-13H2,1H3
Definition date:	2013-06-18
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one

1VG

1VG
Name:	2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one
Formula:	C16 H10 N4 O2
SMILES:	O=C1c4c(OC(=C1)c3ccc(c2nnnn2)cc3)cccc4
InChi:	InChI=1S/C16H10N4O2/c21-13-9-15(22-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16-17-19-20-18-16/h1-9H,(H,17,18,19,20)
Definition date:	2013-06-18
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one

1YP

1YP
Name:	1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea
Formula:	C19 H14 F3 N7 O3 S
SMILES:	O=C1OC(=NN1)c4cc(c2cnc(NC(=O)NCC)cc2c3nc(cs3)C(F)(F)F)cnc4
InChi:	InChI=1S/C19H14F3N7O3S/c1-2-24-17(30)27-14-4-11(16-26-13(8-33-16)19(20,21)22)12(7-25-14)9-3-10(6-23-5-9)15-28-29-18(31)32-15/h3-8H,2H2,1H3,(H,29,31)(H2,24,25,27,30)
Definition date:	2013-08-06
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea

11E

11E
Name:	N-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine
Formula:	C10 H9 N3 O3 S
SMILES:	O=C(O)CNC(=O)c1ccc2nc(sc2c1)N
InChi:	InChI=1S/C10H9N3O3S/c11-10-13-6-2-1-5(3-7(6)17-10)9(16)12-4-8(14)15/h1-3H,4H2,(H2,11,13)(H,12,16)(H,14,15)
Definition date:	2012-09-28
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	N-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine

16Q

16Q
Name:	ethoxybenzene
Formula:	C8 H10 O
SMILES:	ethyl phenyl ether
InChi:	InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Definition date:	2012-10-22
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	ethoxybenzene

A63

A63
Name:	2-(4-methoxyphenyl)-4H-chromen-4-one
Formula:	C16 H12 O3
SMILES:	O=C1c3c(OC(=C1)c2ccc(OC)cc2)cccc3
InChi:	InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
Definition date:	2013-06-14
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-(4-methoxyphenyl)-4H-chromen-4-one

A73

A73
Name:	2-(4-bromophenyl)-4H-chromen-4-one
Formula:	C15 H9 Br O2
SMILES:	Brc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChi:	InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
Definition date:	2013-06-12
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-(4-bromophenyl)-4H-chromen-4-one

RGK

RGK
Name:	2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one
Formula:	C14 H11 N3 O
SMILES:	O=C2c3ccccc3N=C(c1ccc(N)cc1)N2
InChi:	InChI=1S/C14H11N3O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
Definition date:	2013-06-20
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-(4-aminophenyl)quinazolin-4(3H)-one

93G

93G
Name:	9-N-(3-CARBOXY-4-HYDROXYPHENYL)KETOMETHYL-7-N-METHYLGUANINE
Formula:	C15 H15 N6 O4
SMILES:	O=C(N)c1c(O)ccc(c1)C(=O)C[n+]3c2N=C(NC(=O)c2n(c3)C)N
InChi:	InChI=1S/C15H14N6O4/c1-20-6-21(13-11(20)14(25)19-15(17)18-13)5-10(23)7-2-3-9(22)8(4-7)12(16)24/h2-4,6H,5H2,1H3,(H5-,16,17,18,19,22,23,24,25)/p+1
Definition date:	2013-10-10
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-amino-9-[2-(3-carbamoyl-4-hydroxyphenyl)-2-oxoethyl]-7-methyl-6-oxo-6,7-dihydro-1H-purin-9-ium

F46

F46
Name:	N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide
Formula:	C33 H30 F N3 O5
SMILES:	Fc2ccc(cc2NC(=O)c1ccccc1)Nc5ccc6C(=O)c4cc(OCCN3CCOCC3)ccc4COc6c5
InChi:	InChI=1S/C33H30FN3O5/c34-29-11-8-24(18-30(29)36-33(39)22-4-2-1-3-5-22)35-25-7-10-27-31(19-25)42-21-23-6-9-26(20-28(23)32(27)38)41-17-14-37-12-15-40-16-13-37/h1-11,18-20,35H,12-17,21H2,(H,36,39)
Definition date:	2011-12-15
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide

F70

F70
Name:	cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
Formula:	C18 H11 N O4
SMILES:	O=C(OCC#N)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChi:	InChI=1S/C18H11NO4/c19-9-10-22-18(21)13-7-5-12(6-8-13)17-11-15(20)14-3-1-2-4-16(14)23-17/h1-8,11H,10H2
Definition date:	2013-06-18
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate

FTK

FTK
Name:	6,6,6-trifluoro-1-phenylhexane-1,3,5-trione
Formula:	C12 H9 F3 O3
SMILES:	O=C(c1ccccc1)CC(=O)CC(=O)C(F)(F)F
InChi:	InChI=1S/C12H9F3O3/c13-12(14,15)11(18)7-9(16)6-10(17)8-4-2-1-3-5-8/h1-5H,6-7H2
Definition date:	2013-04-04
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	6,6,6-trifluoro-1-phenylhexane-1,3,5-trione

F08

F08
Name:	methyl 4-(4-oxo-4H-chromen-2-yl)benzoate
Formula:	C17 H12 O4
SMILES:	O=C(OC)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChi:	InChI=1S/C17H12O4/c1-20-17(19)12-8-6-11(7-9-12)16-10-14(18)13-4-2-3-5-15(13)21-16/h2-10H,1H3
Definition date:	2013-06-17
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	methyl 4-(4-oxo-4H-chromen-2-yl)benzoate

2FJ

2FJ
Name:	tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+) L enantiomer
Formula:	C64 H44 N14 Ru2
SMILES:	n1c%13c(nc4c1c2cccn%11c2c3n(cccc34)[Ru+2]7%10%11(n5ccccc5c6ccccn67)n8ccccc8c9ccccn9%10)c%12cccn%21c%12c%14c%13cccn%14[Ru+2]%17%20%21(n%15ccccc%15c%16ccccn%16%17)n%18ccccc%18c%19ccccn%19%20
InChi:	InChI=1S/C24H12N6.4C10H8N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20
Definition date:	2013-10-08
Last modified:	2013-10-25
Release date:	2013-10-16
Identifier:	tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)

2FN

2FN
Name:	N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide
Formula:	C32 H42 Cl N3 O10 S
SMILES:	Clc5sc(c1onc(c1)COc4cccc(OCCCOC2OC(CO)C(O)C(O)C2O)c4NC(=O)C3CCN(C(C)C)CC3)cc5
InChi:	InChI=1S/C32H42ClN3O10S/c1-18(2)36-11-9-19(10-12-36)31(41)34-27-21(42-13-4-14-43-32-30(40)29(39)28(38)24(16-37)45-32)5-3-6-22(27)44-17-20-15-23(46-35-20)25-7-8-26(33)47-25/h3,5-8,15,18-19,24,28-30,32,37-40H,4,9-14,16-17H2,1-2H3,(H,34,41)/t24-,28-,29+,30-,32-/m1/s1
Definition date:	2013-10-09
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide

2H8

2H8
Name:	(3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Formula:	C14 H24 N2 O4
SMILES:	O=C(O)C1=CC(N)C(NC(=O)C)C(OC(CC)CC)C1
InChi:	InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h6,10-13H,4-5,7,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
Definition date:	2013-10-20
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	(3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid

HTK

HTK
Name:	(7S)-7-hydroxy-1-phenyloctane-1,3,5-trione
Formula:	C14 H16 O4
SMILES:	O=C(c1ccccc1)CC(=O)CC(=O)CC(O)C
InChi:	InChI=1S/C14H16O4/c1-10(15)7-12(16)8-13(17)9-14(18)11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3/t10-/m0/s1
Definition date:	2013-04-04
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	(7S)-7-hydroxy-1-phenyloctane-1,3,5-trione

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