Chemie クエリの検索結果 - 日本蛋白質構造データバンク

English 日本語简体中文繁體中文 한국어

✖

ﾒﾆｭｰ

RCSB PDB PDBe BMRB Adv. Search Search help

PDB ウェブページステータス検索化合物検索: 36438 件 BIRD

EZ1

EZ1
表記:	4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
組成式:	C9 H11 N O2 S Se
SMILES:	c1c(ccc(c1)[Se]C[C@H]=C)S(N)(=O)=O
InChi:	InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
定義日:	2018-02-13
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide

EZB

EZB
表記:	5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one
組成式:	C18 H13 N3 O
SMILES:	Cc1c(ccc2N=CNC(=O)c12)c3cccc4ncccc34
InChi:	InChI=1S/C18H13N3O/c1-11-12(7-8-16-17(11)18(22)21-10-20-16)13-4-2-6-15-14(13)5-3-9-19-15/h2-10H,1H3,(H,20,21,22)
定義日:	2018-05-10
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one

EZN

EZN
表記:	[3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine
組成式:	C15 H13 Cl N2
SMILES:	NCc1cc(Cl)cc(c1)c2cccc3[nH]ccc23
InChi:	InChI=1S/C15H13ClN2/c16-12-7-10(9-17)6-11(8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,18H,9,17H2
定義日:	2018-05-11
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	[3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine

F51

F51
表記:	2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
組成式:	C22 H16 N2 O2
SMILES:	n2cc1nc(c(C)c(c1cc2)C(O)=O)c3ccc(cc3)c4ccccc4
InChi:	InChI=1S/C22H16N2O2/c1-14-20(22(25)26)18-11-12-23-13-19(18)24-21(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26)
定義日:	2018-02-27
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid

F54

F54
表記:	2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid
組成式:	C23 H16 Cl F N2 O2
SMILES:	c2(c1ccc(C)nc1Cl)ccc(cc2)c4nc3ccc(F)cc3c(c4C)C(=O)O
InChi:	InChI=1S/C23H16ClFN2O2/c1-12-3-9-17(22(24)26-12)14-4-6-15(7-5-14)21-13(2)20(23(28)29)18-11-16(25)8-10-19(18)27-21/h3-11H,1-2H3,(H,28,29)
定義日:	2018-02-27
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid

89L

89L
表記:	(E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid
組成式:	C26 H27 N O5
SMILES:	CN(Cc1ccccc1OCC=C(C)CCC(O)=O)C(=O)c2ccc(cc2)c3occc3
InChi:	InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
定義日:	2017-05-22
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	(~{E})-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid

8B6

8B6
表記:	4-oxidanylfuro[3,2-g]chromen-7-one
組成式:	C11 H6 O4
SMILES:	Oc1c2ccoc2cc3OC(=O)C=Cc13
InChi:	InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
定義日:	2017-05-30
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	4-oxidanylfuro[3,2-g]chromen-7-one

9R8

9R8
表記:	6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
組成式:	C27 H28 N4 O3
SMILES:	CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c4ccc(cc4)N5CCOCC5
InChi:	InChI=1S/C27H28N4O3/c1-18-4-3-5-19(14-18)15-24-22-16-23(26(32)17-25(22)29-28-24)27(33)30(2)20-6-8-21(9-7-20)31-10-12-34-13-11-31/h3-9,14,16-17,32H,10-13,15H2,1-2H3,(H,28,29)
定義日:	2017-07-03
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	~{N}-methyl-3-[(3-methylphenyl)methyl]-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide

9SK

9SK
表記:	5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one
組成式:	C30 H28 F5 N3 O11 S
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(F)c(F)c4)[CH](O)[CH](OCC5=Cc6c(F)c(F)ccc6OC5=O)[CH]1O
InChi:	InChI=1S/C30H28F5N3O11S/c31-13-1-2-17-12(20(13)34)3-11(28(45)47-17)9-46-27-24(42)19(8-40)49-30(26(27)44)50-29-25(43)22(23(41)18(7-39)48-29)38-6-16(36-37-38)10-4-14(32)21(35)15(33)5-10/h1-6,18-19,22-27,29-30,39-44H,7-9H2/t18-,19-,22+,23+,24+,25-,26-,27+,29+,30+/m1/s1
定義日:	2017-07-07
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one

0B6

0B6
表記:	~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
組成式:	C19 H15 F2 N5 O2
SMILES:	C[C]1(C=C(CF)OC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F
InChi:	InChI=1S/C19H15F2N5O2/c1-19(7-13(8-20)28-18(23)26-19)14-6-12(3-4-15(14)21)25-17(27)16-5-2-11(9-22)10-24-16/h2-7,10H,8H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1
定義日:	2017-09-28
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide

AZQ

AZQ
表記:	AZAPROPAZONE
組成式:	C16 H20 N4 O2
SMILES:	CCC[CH]1C(=O)N2N(C1=O)C(=Nc3ccc(C)cc23)N(C)C
InChi:	InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3/t11-/m0/s1
定義日:	2005-07-25
最終更新日:	2018-05-18
識別子（ID）:	5-(dimethylamino)-9-methyl-2-propyl-pyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione

B5M

B5M
表記:	9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine
組成式:	C18 H20 N5 O9 P
SMILES:	C2(COP(OC(=O)c1c(C)cccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(N)ncnc34
InChi:	InChI=1S/C18H20N5O9P/c1-8-3-2-4-9(24)11(8)18(27)32-33(28,29)30-5-10-13(25)14(26)17(31-10)23-7-22-12-15(19)20-6-21-16(12)23/h2-4,6-7,10,13-14,17,24-26H,5H2,1H3,(H,28,29)(H2,19,20,21)/t10-,13+,14+,17+/m0/s1
定義日:	2017-08-01
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine

B5V

B5V
表記:	9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine
組成式:	C17 H18 N5 O9 P
SMILES:	C2(COP(OC(=O)c1ccccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(N)ncnc34
InChi:	InChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/t10-,12+,13+,16+/m0/s1
定義日:	2017-08-01
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine

B5Y

B5Y
表記:	9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine
組成式:	C18 H20 N5 O9 P
SMILES:	C2(COP(OC(=O)c1cc(C)ccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(ncnc34)N
InChi:	InChI=1S/C18H20N5O9P/c1-8-2-3-10(24)9(4-8)18(27)32-33(28,29)30-5-11-13(25)14(26)17(31-11)23-7-22-12-15(19)20-6-21-16(12)23/h2-4,6-7,11,13-14,17,24-26H,5H2,1H3,(H,28,29)(H2,19,20,21)/t11-,13+,14+,17+/m0/s1
定義日:	2017-08-01
最終更新日:	2018-05-18
公開日:	2018-05-23
識別子（ID）:	9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine

G3M

G3M
表記:	(3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine
組成式:	C7 H16 N4 O3
SMILES:	O=C(O)C(C(O)CCCNC(=N)N)N
InChi:	InChI=1S/C7H16N4O3/c8-5(6(13)14)4(12)2-1-3-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m0/s1
定義日:	2018-05-03
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	(3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine

G3V

G3V
表記:	N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid
組成式:	C20 H22 N8 O6
SMILES:	c1(N)nc(c2c(n1)ncc(n2)CN(CO)c3ccc(cc3)C(NC(CCC(O)=O)C(O)=O)=O)N
InChi:	InChI=1S/C20H22N8O6/c21-16-15-17(27-20(22)26-16)23-7-11(24-15)8-28(9-29)12-3-1-10(2-4-12)18(32)25-13(19(33)34)5-6-14(30)31/h1-4,7,13,29H,5-6,8-9H2,(H,25,32)(H,30,31)(H,33,34)(H4,21,22,23,26,27)/t13-/m0/s1
定義日:	2018-05-04
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid

FGJ

FGJ
表記:	(2R)-3-hydroxypropane-1,2-diyl dihexanoate
組成式:	C15 H28 O5
SMILES:	C(CCCC)C(OCC(CO)OC(=O)CCCCC)=O
InChi:	InChI=1S/C15H28O5/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3/t13-/m1/s1
定義日:	2018-03-29
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	(2R)-3-hydroxypropane-1,2-diyl dihexanoate

E05

E05
表記:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol
組成式:	C26 H38 O3
SMILES:	CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C26H38O3/c1-5-21(13-14-22-17-24(27)18-25(28)19(22)2)23-12-9-11-20(16-23)10-7-6-8-15-26(3,4)29/h9,11-14,16,24-25,27-29H,2,5-8,10,15,17-18H2,1,3-4H3/b21-13+,22-14-/t24-,25+/m1/s1
定義日:	2018-02-07
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol

E0E

E0E
表記:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol
組成式:	C27 H40 O3
SMILES:	CCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C27H40O3/c1-5-10-22(14-15-23-18-25(28)19-26(29)20(23)2)24-13-9-12-21(17-24)11-7-6-8-16-27(3,4)30/h9,12-15,17,25-26,28-30H,2,5-8,10-11,16,18-19H2,1,3-4H3/b22-14+,23-15-/t25-,26+/m1/s1
定義日:	2018-02-08
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol

E6Q

E6Q
表記:	3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one
組成式:	C16 H10 N2 O
SMILES:	O=C1N=Cc2ccc3c([nH]cc3c4ccccc4)c12
InChi:	InChI=1S/C16H10N2O/c19-16-14-11(8-18-16)6-7-12-13(9-17-15(12)14)10-4-2-1-3-5-10/h1-9,17H
定義日:	2018-02-21
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

E6T

E6T
表記:	3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one
組成式:	C16 H10 N2 O2
SMILES:	Oc1cccc(c1)c2c[nH]c3c2ccc4C=NC(=O)c34
InChi:	InChI=1S/C16H10N2O2/c19-11-3-1-2-9(6-11)13-8-17-15-12(13)5-4-10-7-18-16(20)14(10)15/h1-8,17,19H
定義日:	2018-02-21
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one

E6W

E6W
表記:	2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one
組成式:	C16 H9 Br N2 O
SMILES:	Brc1[nH]c2c(ccc3C=NC(=O)c23)c1c4ccccc4
InChi:	InChI=1S/C16H9BrN2O/c17-15-12(9-4-2-1-3-5-9)11-7-6-10-8-18-16(20)13(10)14(11)19-15/h1-8,19H
定義日:	2018-02-21
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

CV8

CV8
表記:	2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone
組成式:	C21 H30 N2 O5
SMILES:	COc1ccc(C=NOCC(=O)N2C[CH](C)O[CH](C)C2)cc1OC3CCCC3
InChi:	InChI=1S/C21H30N2O5/c1-15-12-23(13-16(2)27-15)21(24)14-26-22-11-17-8-9-19(25-3)20(10-17)28-18-6-4-5-7-18/h8-11,15-16,18H,4-7,12-14H2,1-3H3/b22-11+/t15-,16+
定義日:	2017-12-06
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone

CZK

CZK
表記:	(2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
組成式:	C22 H31 N3 O4
SMILES:	COc1ccc(cc1OC2CCCC2)c3ccn(C[CH](O)CN4CCOCC4)n3
InChi:	InChI=1S/C22H31N3O4/c1-27-21-7-6-17(14-22(21)29-19-4-2-3-5-19)20-8-9-25(23-20)16-18(26)15-24-10-12-28-13-11-24/h6-9,14,18-19,26H,2-5,10-13,15-16H2,1H3/t18-/m0/s1
定義日:	2017-12-13
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	(2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol

CZQ

CZQ
表記:	2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone
組成式:	C21 H28 F2 N2 O5
SMILES:	C[CH]1CN(C[CH](C)O1)C(=O)CON=Cc2ccc(OC(F)F)c(OC3CCCC3)c2
InChi:	InChI=1S/C21H28F2N2O5/c1-14-11-25(12-15(2)28-14)20(26)13-27-24-10-16-7-8-18(30-21(22)23)19(9-16)29-17-5-3-4-6-17/h7-10,14-15,17,21H,3-6,11-13H2,1-2H3/b24-10+/t14-,15-/m1/s1
定義日:	2017-12-13
最終更新日:	2018-05-11
公開日:	2018-05-16
識別子（ID）:	2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone

<812 813 814 815 816 817 818819820 821 822 823 824 825 826 827 >

222624

件を2024-07-17に公開中

PDB statistics

PDBj update info

Contact PDBj

numon