Chemie Search results for query - 日本蛋白質結構資料庫

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: 44339 results BIRD

212

212
Name:	ALENDRONATE
Formula:	C4 H13 N O7 P2
SMILES:	O=P(O)(O)C(O)(CCCN)P(=O)(O)O
InChi:	InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)
Synonyms:	(4-AMINO-1-HYDROXY-1-PHOSPHONO-BUTYL)PHOSPHONIC ACID
Definition date:	2006-01-11
Last modified:	2021-03-01
Release date:	2015-12-09
Identifier:	(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid)

216

216
Name:	[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
Formula:	C25 H30 N2 O3
SMILES:	O=C1N(C(C(O)C(O)C(N1C/C=C)Cc2ccccc2)Cc3ccccc3)CC=C
InChi:	InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2/t21-,22-,23+,24+/m1/s1
Synonyms:	XK216
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-diprop-2-en-1-yl-1,3-diazepan-2-one

21N

21N
Name:	N-{[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
Formula:	C15 H18 F3 N3 O5 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(cc2)C(F)(F)F
InChi:	InChI=1S/C15H18F3N3O5S/c16-15(17,18)8-3-1-7(2-4-8)5-19-21-14(27)20-13-12(25)11(24)10(23)9(6-22)26-13/h1-5,9-13,22-25H,6H2,(H2,20,21,27)/b19-5+/t9-,10-,11+,12-,13-/m1/s1
Synonyms:	4-trifluoromethylbenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Definition date:	2010-05-03
Last modified:	2021-03-01
Identifier:	N-({(2E)-2-[4-(trifluoromethyl)benzylidene]hydrazinyl}carbothioyl)-beta-D-glucopyranosylamine

LKP

LKP
Name:	trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol
Formula:	C18 H21 F N2 O2
SMILES:	c23C(CC(O)C1CCC(CC1)O)n4c(c2cccc3F)cnc4
InChi:	InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/m0/s1
Synonyms:	Navoximod
Definition date:	2019-02-27
Last modified:	2021-03-01
Release date:	2019-07-17
Identifier:	trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol

223

223
Name:	(3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL
Formula:	C12 H17 N5 O2
SMILES:	OCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:	InChI=1S/C12H17N5O2/c13-12-11-10(15-6-16-12)7(1-14-11)2-17-3-8(5-18)9(19)4-17/h1,6,8-9,14,18-19H,2-5H2,(H2,13,15,16)/t8-,9+/m1/s1
Synonyms:	4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-A
Definition date:	2006-10-24
Last modified:	2021-03-01
Identifier:	(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol

22F

22F
Name:	(4-fluorophenyl)(pyridin-4-yl)methanone
Formula:	C12 H8 F N O
SMILES:	O=C(c1ccc(F)cc1)c2ccncc2
InChi:	InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
Synonyms:	4-(4-fluorobenzoyl)pyridine
Definition date:	2009-01-20
Last modified:	2021-03-01
Identifier:	(4-fluorophenyl)(pyridin-4-yl)methanone

22N

22N
Name:	(3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Formula:	C14 H24 N2 O4
SMILES:	O=C(O)C1=CC(OC(CC)CC)C(NC(=O)C)C(N)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/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13-/m0/s1
Synonyms:	stereomutated oseltamivir carboxylate
Definition date:	2013-08-23
Last modified:	2021-03-01
Release date:	2014-02-12
Identifier:	(3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid

NM1

NM1
Name:	3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE
Formula:	C34 H37 N3 O7 S
SMILES:	O=S2(=O)N(C(C(O)C(O)C(N2Cc1cc(C(=O)NC)ccc1)COc3ccccc3)COc4ccccc4)Cc5ccccc5
InChi:	InChI=1S/C34H37N3O7S/c1-35-34(40)27-15-11-14-26(20-27)22-37-31(24-44-29-18-9-4-10-19-29)33(39)32(38)30(23-43-28-16-7-3-8-17-28)36(45(37,41)42)21-25-12-5-2-6-13-25/h2-20,30-33,38-39H,21-24H2,1H3,(H,35,40)/t30-,31-,32+,33+/m1/s1
Synonyms:	AHA047
Definition date:	2000-10-30
Last modified:	2021-03-01
Identifier:	3-{[(3R,4S,5S,6R)-7-benzyl-4,5-dihydroxy-1,1-dioxido-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl}-N-methylbenzamide

230

230
Name:	(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE
Formula:	C24 H22 Cl F N4 O4
SMILES:	Clc1ccc(cc1)NC(=O)N2CC(OC)CC2C(=O)Nc3c(F)cc(cc3)N4C=CC=CC4=O
InChi:	InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1
Synonyms:	PD-0348292
Definition date:	2007-04-26
Last modified:	2021-03-01
Identifier:	(2R,4R)-N~1~-(4-chlorophenyl)-N~2~-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

NMG

NMG
Name:	GUANIDINO ACETATE
Formula:	C3 H7 N3 O2
SMILES:	O=C(O)CNC(=[N@H])N
InChi:	InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
Synonyms:	N-[AMINO(IMINO)METHYL]GLYCINE
Definition date:	2004-09-21
Last modified:	2021-03-01
Identifier:	N-carbamimidoylglycine

234

234
Name:	5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID
Formula:	C21 H16 F N O7
SMILES:	O=C(O)c3noc(c2c(F)ccc(/C=C/COc1cccc(O)c1C(=O)OC)c2)c3
InChi:	InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+
Synonyms:	COMPOUND 9
Definition date:	2003-07-22
Last modified:	2021-03-01
Identifier:	5-(2-fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl}phenyl)isoxazole-3-carboxylic acid

23W

23W
Name:	methyl 2-(hydroxymethyl)prop-2-enoate
Formula:	C5 H8 O3
SMILES:	O=C(OC)/C(=C)CO
InChi:	InChI=1S/C5H8O3/c1-4(3-6)5(7)8-2/h6H,1,3H2,2H3
Synonyms:	methyl 2-(hydroxymethyl)acrylate
Definition date:	2013-08-26
Last modified:	2021-03-01
Release date:	2014-06-25
Identifier:	methyl 2-(hydroxymethyl)prop-2-enoate

240

240
Name:	(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
Formula:	C28 H24 F3 N O6
SMILES:	O=C(O)C(Oc1ccccc1Cc3c2cc(OC(F)(F)F)ccc2n(c3C)C(=O)c4ccc(OC)cc4)C
InChi:	InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1
Synonyms:	MRL20
Definition date:	2007-06-15
Last modified:	2021-03-01
Identifier:	(2S)-2-[2-({1-[(4-methoxyphenyl)carbonyl]-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl}methyl)phenoxy]propanoic acid

241

241
Name:	(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
Formula:	C28 H24 F3 N O6
SMILES:	O=C(O)C(Oc1cccc(c1)Cc3c2cc(OC(F)(F)F)ccc2n(c3C)C(=O)c4ccc(OC)cc4)C
InChi:	InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1
Synonyms:	MRL24
Definition date:	2007-06-25
Last modified:	2021-03-01
Identifier:	(2S)-2-[3-({1-[(4-methoxyphenyl)carbonyl]-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl}methyl)phenoxy]propanoic acid

NND

NND
Name:	(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL
Formula:	C15 H31 N O4
SMILES:	OCC1N(CCCCCCCCC)CC(O)C(O)C1O
InChi:	InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
Synonyms:	N-NONYL-DEOXYNOJIRIMYCIN
Definition date:	2007-06-18
Last modified:	2021-03-01
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol

242

242
Name:	3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
Formula:	C23 H17 F3 N4 O
SMILES:	FC(F)(F)c1cccc(c1)NC(=O)c4cc(c3cc2c(nc(nc2)N)cc3)c(cc4)C
InChi:	InChI=1S/C23H17F3N4O/c1-13-5-6-15(21(31)29-18-4-2-3-17(11-18)23(24,25)26)10-19(13)14-7-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
Synonyms:	AMINOQUINAZOLINE 1
Definition date:	2007-01-09
Last modified:	2021-03-01
Identifier:	3-(2-aminoquinazolin-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

256

256
Name:	PHENYL(SULFO)ACETIC ACID
Formula:	C8 H8 O5 S
SMILES:	O=S(=O)(O)C(C(=O)O)c1ccccc1
InChi:	InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/t7-/m1/s1
Synonyms:	RU79256
Definition date:	2003-06-20
Last modified:	2021-03-01
Identifier:	(2R)-phenyl(sulfo)ethanoic acid

NOG

NOG
Name:	13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE
Formula:	C21 H28 O2
SMILES:	O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC)CC4
InChi:	InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
Synonyms:	NORGESTREL
Definition date:	2002-04-29
Last modified:	2021-03-01
Identifier:	(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

25H

25H
Name:	{2-[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid
Formula:	C9 H14 N5 O5 P
SMILES:	O=P(O)(O)CCOCCn1c2N=C(NC(=O)c2nc1)N
InChi:	InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-5-14(7)1-2-19-3-4-20(16,17)18/h5H,1-4H2,(H2,16,17,18)(H3,10,12,13,15)
Synonyms:	9-(2-phosphonoethoxyethyl)guanine
Definition date:	2009-03-05
Last modified:	2021-03-01
Identifier:	{2-[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid

25L

25L
Name:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Formula:	C30 H40 N15 O25 P5
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)O[CH]4n8cnc9c(N)ncnc89)[CH](O)[CH]3O
InChi:	InChI=1S/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
Synonyms:	2'-5'-oligoadenylate trimer
Definition date:	2009-09-15
Last modified:	2021-03-01
Release date:	2014-02-05
Identifier:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

NPX

NPX
Name:	(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid
Formula:	C14 H14 O3
SMILES:	O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
InChi:	InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1
Synonyms:	(R)-Naproxen
Definition date:	2007-10-04
Last modified:	2021-03-01
Identifier:	(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid

274

274
Name:	(3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE
Formula:	C28 H30 Cl N5 O4 S
SMILES:	O=C(N1CCN(C)CC1)c5c(c(/C=C3/c2cc(ccc2NC3=O)S(=O)(=O)N(c4cccc(Cl)c4)C)nc5C)C
InChi:	InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
Synonyms:	MET KINASE INHIBITOR
Definition date:	2006-10-17
Last modified:	2021-03-01
Identifier:	(3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide

27R

27R
Name:	[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid
Formula:	C15 H12 Br N O3
SMILES:	O=C(c1ccc(Br)cc1)c2cccc(c2N)CC(=O)O
InChi:	InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)
Synonyms:	Bromfenac
Definition date:	2013-09-05
Last modified:	2021-03-01
Release date:	2013-09-18
Identifier:	[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid

NRN

NRN
Name:	(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
Formula:	C10 H13 N5 O3
SMILES:	Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O
InChi:	InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
Synonyms:	noraristeromycin
Definition date:	2015-07-31
Last modified:	2021-03-01
Release date:	2016-07-27
Identifier:	(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol

28S

28S
Name:	6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine
Formula:	C11 H10 Br N3
SMILES:	Brc2cc1c(ncnc1NCC=C)cc2
InChi:	InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
Synonyms:	SMER28
Definition date:	2011-07-12
Last modified:	2021-03-01
Identifier:	6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine

<692 693 694 695 696 697 698699700 701 702 703 704 705 706 707 >

245663

數據於2025-12-03公開中

PDB statistics

PDBj update info

Contact PDBj

numon