Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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: 35504 results BIRD

596

596
Name:	(2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one
Formula:	C22 H22 N4 O3
SMILES:	O=C1c4ccc(OC)c(c4O/C1=Cc3nnc2ccccc23)CN5CCNCC5
InChi:	InChI=1S/C22H22N4O3/c1-28-19-7-6-15-21(27)20(12-18-14-4-2-3-5-17(14)24-25-18)29-22(15)16(19)13-26-10-8-23-9-11-26/h2-7,12,23H,8-11,13H2,1H3,(H,24,25)/b20-12-
Definition date:	2011-11-30
Last modified:	2012-09-28
Release date:	2012-09-28
Identifier:	(2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one

387

387
Name:	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea
Formula:	C17 H19 Cl2 N3 O2
SMILES:	Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2cccc(O)c2
InChi:	InChI=1S/C17H19Cl2N3O2/c18-13-7-12(8-14(19)9-13)11-20-5-2-6-21-17(24)22-15-3-1-4-16(23)10-15/h1,3-4,7-10,20,23H,2,5-6,11H2,(H2,21,22,24)
Definition date:	2011-10-07
Last modified:	2012-09-28
Release date:	2012-09-28
Identifier:	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea

392

392
Name:	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea
Formula:	C17 H19 Cl2 N3 O2
SMILES:	Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2ccccc2O
InChi:	InChI=1S/C17H19Cl2N3O2/c18-13-8-12(9-14(19)10-13)11-20-6-3-7-21-17(24)22-15-4-1-2-5-16(15)23/h1-2,4-5,8-10,20,23H,3,6-7,11H2,(H2,21,22,24)
Definition date:	2011-10-10
Last modified:	2012-09-28
Release date:	2012-09-28
Identifier:	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea

DJL

DJL
Name:	(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium
Formula:	C15 H16 Cl F N O
SMILES:	Clc2ccc(c(F)c2Oc1ccccc1)C([NH3+])CC
InChi:	InChI=1S/C15H15ClFNO/c1-2-13(18)11-8-9-12(16)15(14(11)17)19-10-6-4-3-5-7-10/h3-9,13H,2,18H2,1H3/p+1/t13-/m1/s1
Definition date:	2012-08-16
Last modified:	2012-09-28
Release date:	2012-09-28
Identifier:	(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium

H89

H89
Name:	6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:	C26 H20 N4 O3
SMILES:	O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c5ccc(OCc4ccccc4)cc5
InChi:	InChI=1S/C26H20N4O3/c31-26(32)22-14-24(20-6-8-21(9-7-20)33-17-19-4-2-1-3-5-19)29-25-23(22)15-28-30(25)16-18-10-12-27-13-11-18/h1-15H,16-17H2,(H,31,32)
Definition date:	2011-09-30
Last modified:	2012-09-28
Release date:	2012-09-28
Identifier:	6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

H90

H90
Name:	6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:	C26 H18 N4 O3
SMILES:	O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c5ccc(C(=O)c4ccccc4)cc5
InChi:	InChI=1S/C26H18N4O3/c31-24(19-4-2-1-3-5-19)20-8-6-18(7-9-20)23-14-21(26(32)33)22-15-28-30(25(22)29-23)16-17-10-12-27-13-11-17/h1-15H,16H2,(H,32,33)
Definition date:	2011-09-30
Last modified:	2012-09-28
Release date:	2012-09-28
Identifier:	6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

1LH

1LH
Name:	(2S)-4-[(2-ammonioethyl)amino]-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
Formula:	C21 H29 Cl F N3 O2
SMILES:	Clc2ccc(c(F)c2Oc1ccccc1)C([NH2+]C(C)CC(=O)NCC[NH3+])CC
InChi:	InChI=1S/C21H27ClFN3O2/c1-3-18(26-14(2)13-19(27)25-12-11-24)16-9-10-17(22)21(20(16)23)28-15-7-5-4-6-8-15/h4-10,14,18,26H,3,11-13,24H2,1-2H3,(H,25,27)/p+2/t14-,18+/m0/s1
Definition date:	2012-08-16
Last modified:	2012-09-28
Release date:	2012-09-28
Identifier:	(2S)-4-[(2-ammonioethyl)amino]-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium

0N3

0N3
Name:	3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
Formula:	C9 H12 B N O6 S
SMILES:	O=S(=O)(NCB(O)O)Cc1cccc(c1)C(=O)O
InChi:	InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-2-7(4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13)
Definition date:	2012-03-13
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid

0N4

0N4
Name:	[({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Formula:	C8 H10 B N5 O4 S
SMILES:	O=S(=O)(c2ccc(c1nnnn1)cc2)NCB(O)O
InChi:	InChI=1S/C8H10BN5O4S/c15-9(16)5-10-19(17,18)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15-16H,5H2,(H,11,12,13,14)
Definition date:	2012-03-13
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	[({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid

0NA

0NA
Name:	[({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
Formula:	C7 H9 B N6 O4 S
SMILES:	O=S(=O)(c2cnc(c1nnnn1)cc2)NCB(O)O
InChi:	InChI=1S/C7H9BN6O4S/c15-8(16)4-10-19(17,18)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15-16H,4H2,(H,11,12,13,14)
Definition date:	2012-03-16
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	[({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid

0NB

0NB
Name:	[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Formula:	C8 H9 B Cl N5 O4 S
SMILES:	O=S(=O)(c2cc(Cl)c(c1nnnn1)cc2)NCB(O)O
InChi:	InChI=1S/C8H9BClN5O4S/c10-7-3-5(20(18,19)11-4-9(16)17)1-2-6(7)8-12-14-15-13-8/h1-3,11,16-17H,4H2,(H,12,13,14,15)
Definition date:	2012-03-16
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid

0ND

0ND
Name:	[({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Formula:	C8 H9 B Cl N5 O4 S
SMILES:	O=S(=O)(c2c(Cl)cc(c1nnnn1)cc2)NCB(O)O
InChi:	InChI=1S/C8H9BClN5O4S/c10-6-3-5(8-12-14-15-13-8)1-2-7(6)20(18,19)11-4-9(16)17/h1-3,11,16-17H,4H2,(H,12,13,14,15)
Definition date:	2012-03-16
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	[({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid

0NE

0NE
Name:	[({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
Formula:	C9 H9 B F3 N5 O4 S
SMILES:	O=S(=O)(c2c(cc(c1nnnn1)cc2)C(F)(F)F)NCB(O)O
InChi:	InChI=1S/C9H9BF3N5O4S/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)23(21,22)14-4-10(19)20/h1-3,14,19-20H,4H2,(H,15,16,17,18)
Definition date:	2012-03-16
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	[({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid

0NG

0NG
Name:	({[(chloromethyl)sulfonyl]amino}methyl)boronic acid
Formula:	C2 H7 B Cl N O4 S
SMILES:	ClCS(=O)(=O)NCB(O)O
InChi:	InChI=1S/C2H7BClNO4S/c4-2-10(8,9)5-1-3(6)7/h5-7H,1-2H2
Definition date:	2012-03-16
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	({[(chloromethyl)sulfonyl]amino}methyl)boronic acid

0SA

0SA
Name:	undecyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside
Formula:	C23 H44 O10 S
SMILES:	S(CCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:	InChI=1S/C23H44O10S/c1-2-3-4-5-6-7-8-9-10-11-34-23-20(30)18(28)21(15(13-25)32-23)33-22-19(29)17(27)16(26)14(12-24)31-22/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23+/m1/s1
Definition date:	2012-05-18
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	undecyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside

484

484
Name:	3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
Formula:	C31 H40 O3
SMILES:	OCc1cc(ccc1CO)CCc3ccc(c(c2ccc(cc2CCC)C(O)(CC)CC)c3)C
InChi:	InChI=1S/C31H40O3/c1-5-8-25-19-28(31(34,6-2)7-3)15-16-29(25)30-18-24(10-9-22(30)4)12-11-23-13-14-26(20-32)27(17-23)21-33/h9-10,13-19,32-34H,5-8,11-12,20-21H2,1-4H3
Definition date:	2012-07-13
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol

0VK

0VK
Name:	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
Formula:	C30 H38 O4
SMILES:	O(c1cc(c(cc1)C)c2ccc(cc2CCC)C(O)(CC)CC)Cc3ccc(c(c3)CO)CO
InChi:	InChI=1S/C30H38O4/c1-5-8-23-16-26(30(33,6-2)7-3)12-14-28(23)29-17-27(13-9-21(29)4)34-20-22-10-11-24(18-31)25(15-22)19-32/h9-17,31-33H,5-8,18-20H2,1-4H3
Definition date:	2012-07-12
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol

0VO

0VO
Name:	(4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol
Formula:	C26 H34 O4
SMILES:	O(c1cc(ccc1)/C(=CC=CC(O)(CC)CC)CC)Cc2ccc(c(c2)CO)CO
InChi:	InChI=1S/C26H34O4/c1-4-21(10-8-14-26(29,5-2)6-3)22-9-7-11-25(16-22)30-19-20-12-13-23(17-27)24(15-20)18-28/h7-16,27-29H,4-6,17-19H2,1-3H3/b14-8?,21-10-
Definition date:	2012-07-13
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	(4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol

0VP

0VP
Name:	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
Formula:	C31 H40 O4
SMILES:	O(c1cc(c(cc1)CC)c2ccc(cc2CCC)C(O)(CC)CC)Cc3ccc(c(c3)CO)CO
InChi:	InChI=1S/C31H40O4/c1-5-9-24-17-27(31(34,7-3)8-4)13-15-29(24)30-18-28(14-12-23(30)6-2)35-21-22-10-11-25(19-32)26(16-22)20-33/h10-18,32-34H,5-9,19-21H2,1-4H3
Definition date:	2012-07-13
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol

0VQ

0VQ
Name:	(3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol
Formula:	C25 H26 F6 O3
SMILES:	FC(F)(F)C(O)(/C=C/C=C(/c1cccc(c1)CCc2cc(c(cc2)CO)CO)CC)C(F)(F)F
InChi:	InChI=1S/C25H26F6O3/c1-2-19(7-4-12-23(34,24(26,27)28)25(29,30)31)20-6-3-5-17(13-20)8-9-18-10-11-21(15-32)22(14-18)16-33/h3-7,10-14,32-34H,2,8-9,15-16H2,1H3/b12-4+,19-7+
Definition date:	2012-07-13
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	(3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol

BG2

BG2
Name:	8-bromoguanosine
Formula:	C10 H12 Br N5 O5
SMILES:	O=C1c2nc(Br)n(c2N=C(N)N1)C3OC(C(O)C3O)CO
InChi:	InChI=1S/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1
Definition date:	2012-01-20
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	8-bromoguanosine

6CR

6CR
Name:	6-chloro-9-(beta-D-ribofuranosyl)-9H-purin-2-amine
Formula:	C10 H12 Cl N5 O4
SMILES:	Clc3nc(nc1c3ncn1C2OC(C(O)C2O)CO)N
InChi:	InChI=1S/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
Definition date:	2012-01-20
Last modified:	2012-09-21
Release date:	2012-09-21
Identifier:	6-chloro-9-(beta-D-ribofuranosyl)-9H-purin-2-amine

0YC

0YC
Name:	1-(pyridin-3-yl)methanamine
Formula:	C6 H8 N2
SMILES:	n1cccc(c1)CN
InChi:	InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2
Definition date:	2012-09-12
Last modified:	2012-09-17
Identifier:	1-(pyridin-3-yl)methanamine

0LO

0LO
Name:	5-phenylpyridine-3-carboxylic acid
Formula:	C12 H9 N O2
SMILES:	O=C(O)c2cc(c1ccccc1)cnc2
InChi:	InChI=1S/C12H9NO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
Definition date:	2012-02-20
Last modified:	2012-09-14
Release date:	2012-09-14
Identifier:	5-phenylpyridine-3-carboxylic acid

0LV

0LV
Name:	(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol
Formula:	C11 H14 O2
SMILES:	OCc2cccc1c2OC(C1)(C)C
InChi:	InChI=1S/C11H14O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,12H,6-7H2,1-2H3
Definition date:	2012-02-21
Last modified:	2012-09-14
Release date:	2012-09-14
Identifier:	(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol

<1212 1213 1214 1215 1216 1217 121812191220 1221 1222 1223 1224 1225 1226 1227 >

224931

건을2024-09-11부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon