Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 35455 件 BIRD

TIY

TIY
表記:	2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one
組成式:	C11 H8 O5
SMILES:	O=C2c1c(O)c(O)c(O)cc1C=CC=C2O
InChi:	InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
別名:	Purpurogallin
定義日:	2011-08-30
最終更新日:	2020-06-17
識別子（ID）:	2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one

TJ7

TJ7
表記:	(2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid
組成式:	C16 H20 N2 O7 S2
SMILES:	O=CC(OC)(C1SC(C(N1)C(O)=O)(C)C)NC(=O)C(C(O)=O)c2cscc2
InChi:	InChI=1S/C16H20N2O7S2/c1-15(2)10(13(23)24)17-14(27-15)16(7-19,25-3)18-11(20)9(12(21)22)8-4-5-26-6-8/h4-7,9-10,14,17H,1-3H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,14-,16+/m1/s1
別名:	temocillin
定義日:	2019-10-15
最終更新日:	2020-06-17
公開日:	2019-10-30
識別子（ID）:	(2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

TJE

TJE
表記:	(2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
組成式:	C24 H31 N2 O7 P
SMILES:	O=C(O)C(CCc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)Cc2ccc(O)cc2)C
InChi:	InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1
別名:	Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH
定義日:	2014-12-17
最終更新日:	2020-06-17
公開日:	2016-01-20
識別子（ID）:	(2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid

3X9

3X9
表記:	3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}-L-alanine
組成式:	C12 H22 N2 O3 S2
SMILES:	O=C(O)C(N)CSSCC1=CC(N(O)C1(C)C)(C)C
InChi:	InChI=1S/C12H22N2O3S2/c1-11(2)5-8(12(3,4)14(11)17)6-18-19-7-9(13)10(15)16/h5,9,17H,6-7,13H2,1-4H3,(H,15,16)/t9-/m0/s1
別名:	CYS with MTSL
定義日:	2014-12-04
最終更新日:	2020-06-17
公開日:	2015-03-25
識別子（ID）:	3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}-L-alanine

BWU

BWU
表記:	Tetraphenylporphycene contating cobalt
組成式:	C44 H28 Co N4
SMILES:	[Co]1n2c3ccc2C(=C(c4ccccc4)C5=NC(=C6C=CC(=C(c7ccccc7)C(=C8C=CC3=N8)c9ccccc9)[N]16)C=C5)c%10ccccc%10
InChi:	InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-37-25-21-33(45-37)34-23-27-39(47-34)43(31-17-9-3-10-18-31)44(32-19-11-4-12-20-32)40-28-24-36(48-40)35-22-26-38(46-35)42(41)30-15-7-2-8-16-30
別名:	Co-9,10,19,20-Tetraphenylporphycene
定義日:	2019-03-25
最終更新日:	2020-06-17
公開日:	2020-03-11

BWX

BWX
表記:	(2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid
組成式:	C22 H27 N O3
SMILES:	CC(C)Cc1ccc(cc1)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O
InChi:	InChI=1S/C22H27NO3/c1-15(2)13-18-9-11-19(12-10-18)16(3)21(24)23-20(22(25)26)14-17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20-/m0/s1
別名:	N-(S)-Ibuprofenoyl-L-Phenylalanine
定義日:	2019-03-26
最終更新日:	2020-06-17
公開日:	2020-03-18
識別子（ID）:	(2~{S})-2-[[(2~{S})-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid

TL2

TL2
表記:	2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL
組成式:	C20 H22 N4 O4
SMILES:	O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3
InChi:	InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17+,18+/m0/s1
別名:	2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL
定義日:	2004-12-08
最終更新日:	2020-06-17
識別子（ID）:	1,4:3,6-dianhydro-5-O-(3-carbamimidoylphenyl)-2-O-(4-carbamimidoylphenyl)-D-glucitol

TL3

TL3
表記:	2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL
組成式:	C20 H22 N4 O4
SMILES:	O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2ccc(C(=[N@H])N)cc2)C4OC3
InChi:	InChI=1S/C20H22N4O4/c21-19(22)11-1-5-13(6-2-11)27-15-9-25-18-16(10-26-17(15)18)28-14-7-3-12(4-8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1
別名:	2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL
定義日:	2004-12-08
最終更新日:	2020-06-17
識別子（ID）:	1,4:3,6-dianhydro-2,5-bis-O-(4-carbamimidoylphenyl)-D-glucitol

TL4

TL4
表記:	2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL
組成式:	C20 H22 N4 O4
SMILES:	O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3
InChi:	InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1
別名:	2-O-(3'-AMIDINOPHENYL)-5-O-(4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL
定義日:	2004-12-08
最終更新日:	2020-06-17
識別子（ID）:	1,4:3,6-dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol

TLC

TLC
表記:	2-O,3-ETHDIYL-ARABINOFURANOSYL-THYMINE-5'-MONOPHOSPHATE
組成式:	C12 H17 N2 O9 P
SMILES:	O=C1C(=CN(C(=O)N1)C3OC(C2(O)CCOC23)COP(=O)(O)O)C
InChi:	InChI=1S/C12H17N2O9P/c1-6-4-14(11(16)13-9(6)15)10-8-12(17,2-3-21-8)7(23-10)5-22-24(18,19)20/h4,7-8,10,17H,2-3,5H2,1H3,(H,13,15,16)(H2,18,19,20)/t7-,8-,10-,12-/m1/s1
別名:	[3.3.0]BICYCLO-ARABINO-THYMINE-5'-PHOSPHATE
定義日:	2000-02-25
最終更新日:	2020-06-17
識別子（ID）:	[(3aR,4R,6R,6aS)-3a-hydroxy-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)hexahydrofuro[3,4-b]furan-4-yl]methyl dihydrogen phosphate

TLD

TLD
表記:	4-methylbenzene-1,2-dithiol
組成式:	C7 H8 S2
SMILES:	Sc1ccc(cc1S)C
InChi:	InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
別名:	Toluene-3,4-dithiol
定義日:	2007-09-25
最終更新日:	2020-06-17
識別子（ID）:	4-methylbenzene-1,2-dithiol

BYT

BYT
表記:	Biocytin
組成式:	C16 H28 N4 O4 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)O)N
InChi:	InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
別名:	N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine
定義日:	2013-08-01
最終更新日:	2020-06-17
公開日:	2014-09-10
識別子（ID）:	N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine

TLO

TLO
表記:	5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine
組成式:	C16 H20 N2 O11 P2
SMILES:	O=P(Oc1ccccc1)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O
InChi:	InChI=1S/C16H20N2O11P2/c1-10-8-18(16(21)17-15(10)20)14-7-12(19)13(27-14)9-26-30(22,23)29-31(24,25)28-11-5-3-2-4-6-11/h2-6,8,12-14,19H,7,9H2,1H3,(H,22,23)(H,24,25)(H,17,20,21)/t12-,13+,14+/m0/s1
別名:	thymidine diphosphate phenol
定義日:	2010-10-29
最終更新日:	2020-06-17
識別子（ID）:	5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine

BYY

BYY
表記:	5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid
組成式:	C10 H16 N2 O3 Se
SMILES:	O=C1NC2C(N1)C([Se]C2)CCCCC(O)=O
InChi:	InChI=1S/C10H16N2O3Se/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
別名:	selenobiotin
定義日:	2016-04-18
最終更新日:	2020-06-17
公開日:	2016-11-16
識別子（ID）:	5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid

TLZ

TLZ
表記:	D-altritol
組成式:	C6 H14 O6
SMILES:	OC(C(O)CO)C(O)C(O)CO
InChi:	InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1
別名:	D-talitol
定義日:	2014-12-15
最終更新日:	2020-06-17
公開日:	2014-12-24
識別子（ID）:	D-altritol

BZ7

BZ7
表記:	N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide
組成式:	C32 H38 N4 O4
SMILES:	N(C(CC(NC(C)(C)C)=O)C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)C(CCc3ccccc3)=O
InChi:	InChI=1S/C32H38N4O4/c1-32(2,3)36-29(38)22-27(35-28(37)18-17-23-11-6-4-7-12-23)31(40)34-20-19-33-30(39)26-16-10-15-25(21-26)24-13-8-5-9-14-24/h4-16,21,27H,17-20,22H2,1-3H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t27-/m0/s1
別名:	PKS21004
定義日:	2017-09-05
最終更新日:	2020-06-17
公開日:	2017-12-06
識別子（ID）:	N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide

BZE

BZE
表記:	6-phenyl-1,3,5-triazine-2,4-diamine
組成式:	C9 H9 N5
SMILES:	n1c(nc(nc1c2ccccc2)N)N
InChi:	InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
別名:	BENZOGUANAMINE
定義日:	2013-05-10
最終更新日:	2020-06-17
公開日:	2013-05-22
識別子（ID）:	6-phenyl-1,3,5-triazine-2,4-diamine

TMH

TMH
表記:	(+)-alpha-Pinene
組成式:	C10 H16
SMILES:	C1(=CCC2CC1C2(C)C)C
InChi:	InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
別名:	(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE
定義日:	2002-09-26
最終更新日:	2020-06-17
識別子（ID）:	(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

BZQ

BZQ
表記:	DIPHENYLMETHANONE
組成式:	C13 H10 O
SMILES:	O=C(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
別名:	BENZENE, BENZOYL-
定義日:	2000-03-08
最終更新日:	2020-06-17
識別子（ID）:	diphenylmethanone

TMI

TMI
表記:	1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE
組成式:	C22 H18 N2
SMILES:	n1ccn(c1)C(c3ccc(c2ccccc2)cc3)c4ccccc4
InChi:	InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m0/s1
別名:	BIFONAZOLE
定義日:	2005-10-27
最終更新日:	2020-06-17
識別子（ID）:	1-[(S)-biphenyl-4-yl(phenyl)methyl]-1H-imidazole

C09

C09
表記:	2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine
組成式:	C13 H14 N4 O
SMILES:	n3c1ccccc1c2c(nc(n2)COCC)c3N
InChi:	InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17)
別名:	CL097
定義日:	2013-01-22
最終更新日:	2020-06-17
公開日:	2013-04-03
識別子（ID）:	2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine

TNA

TNA
表記:	N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid
組成式:	C13 H23 N3 O8
SMILES:	O=C(O)C(NCCC(NCCC(N)C(=O)O)C(=O)O)CCC(=O)O
InChi:	InChI=1S/C13H23N3O8/c14-7(11(19)20)3-5-15-9(13(23)24)4-6-16-8(12(21)22)1-2-10(17)18/h7-9,15-16H,1-6,14H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t7-,8-,9-/m0/s1
別名:	thermonicotianamine
定義日:	2009-01-07
最終更新日:	2020-06-17
識別子（ID）:	N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid

C0L

C0L
表記:	methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate
組成式:	C30 H41 N O7
SMILES:	CC=[C@H]CC=C(/C)C(O)CCC(=[C@H]C=C(/C)C(O)=C1C(=O)C=C(OC1=O)C(CC[C@H]=CNC(=O)OC)C)C
InChi:	InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32,34H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+,28-27?/t22-,24-/m1/s1
別名:	Corallopyronin A
定義日:	2018-08-14
最終更新日:	2020-06-17
公開日:	2018-11-21
識別子（ID）:	methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate

TNE

TNE
表記:	8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE
組成式:	C8 H13 N O
SMILES:	O=C1CC2N(C)C(C1)CC2
InChi:	InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
別名:	TROPINONE
定義日:	2001-05-16
最終更新日:	2020-06-17
識別子（ID）:	(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

TNG

TNG
表記:	propane-1,2,3-triyl trinitrate
組成式:	C3 H5 N3 O9
SMILES:	O=[N+]([O-])OC(CO[N+]([O-])=O)CO[N+](=O)[O-]
InChi:	InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
別名:	nitroglycerin
定義日:	2012-07-11
最終更新日:	2020-06-17
公開日:	2012-09-21
識別子（ID）:	propane-1,2,3-triyl trinitrate

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