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: 4735 results BIRD

G16

G16
Name:	1,6-di-O-phosphono-alpha-D-glucopyranose
Formula:	C6 H13 O12 P2
SMILES:	O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O
InChi:	InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-1/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE
Definition date:	1999-08-11
Last modified:	2024-09-27
Identifier:	1-O-(hydroxyphosphinato)-6-O-phosphono-alpha-D-glucopyranose

G2F

G2F
Name:	2-deoxy-2-fluoro-alpha-D-glucopyranose
Formula:	C6 H11 F O5
SMILES:	FC1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	2-deoxy-2-fluoro-alpha-D-glucose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-alpha-D-glucopyranose

G4V

G4V
Name:	(Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine
Formula:	C18 H17 F2 N5 O2
SMILES:	n1cc(c4c1ncnc4c3cc2N(/C=N)CC(F)(F)Oc2cc3)CCOC
InChi:	InChI=1S/C18H17F2N5O2/c1-26-5-4-12-7-22-17-15(12)16(23-10-24-17)11-2-3-14-13(6-11)25(9-21)8-18(19,20)27-14/h2-3,6-7,9-10,21H,4-5,8H2,1H3,(H,22,23,24)/b21-9-
Definition date:	2018-05-04
Last modified:	2024-09-27
Release date:	2018-11-28
Identifier:	(Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine

G4Y

G4Y
Name:	N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide
Formula:	C22 H19 N5
SMILES:	n3c1ncnc(c1c(c2ccccc2)c3)c4cc5c(cc4)CCC5NC=[N@H]
InChi:	InChI=1S/C22H19N5/c23-12-25-19-9-8-15-6-7-16(10-17(15)19)21-20-18(14-4-2-1-3-5-14)11-24-22(20)27-13-26-21/h1-7,10-13,19H,8-9H2,(H2,23,25)(H,24,26,27)/t19-/m0/s1
Definition date:	2018-05-04
Last modified:	2024-09-27
Release date:	2018-11-28
Identifier:	N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide

G5M

G5M
Name:	(2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid
Formula:	C13 H22 N2 O10 S
SMILES:	C(NC1C(OC(CC(O)=O)C(O)=O)OC(C(O)C1O)CO)(C(CS)N)=O
InChi:	InChI=1S/C13H22N2O10S/c14-4(3-26)11(21)15-8-10(20)9(19)6(2-16)25-13(8)24-5(12(22)23)1-7(17)18/h4-6,8-10,13,16,19-20,26H,1-3,14H2,(H,15,21)(H,17,18)(H,22,23)/t4-,5-,6+,8+,9+,10+,13-/m0/s1
Definition date:	2018-05-08
Last modified:	2024-09-27
Release date:	2022-04-13
Identifier:	(2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid

1E8

1E8
Name:	1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
Formula:	C25 H24 N6 O2
SMILES:	n1c(c2c(nc1)n(nc2c3ccc(cc3)Oc4ccccc4)C5CCCN(C5)C(=O)C=C)N
InChi:	InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
Synonyms:	Imbruvica
Definition date:	2012-12-18
Last modified:	2024-09-27
Release date:	2014-04-16
Identifier:	1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one

1G6

1G6
Name:	N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form
Formula:	C37 H50 N8 O5 S
SMILES:	NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(CN)cc2)NC(=O)C(Cc2ccccc2)N=[N+]=[N-])cc1
InChi:	InChI=1S/C37H50N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-16,25,31-34H,17-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/t31-,32+,33-,34+/m1/s1
Definition date:	2013-01-22
Last modified:	2024-09-27
Release date:	2013-01-25
Identifier:	4-(aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide

GAF

GAF
Name:	2-deoxy-2-fluoro-alpha-D-galactopyranose
Formula:	C6 H11 F O5
SMILES:	FC1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	2-DEOXY-2-FLUORO-GALACTOSE
Definition date:	2004-02-11
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-alpha-D-galactopyranose

GAL

GAL
Name:	beta-D-galactopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
Synonyms:	beta-D-galactose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	beta-D-galactopyranose

1IC

1IC
Name:	O-octanoyl-D-serine
Formula:	C11 H21 N O4
SMILES:	OC(=O)C(N)COC(=O)CCCCCCC
InChi:	InChI=1S/C11H21NO4/c1-2-3-4-5-6-7-10(13)16-8-9(12)11(14)15/h9H,2-8,12H2,1H3,(H,14,15)/t9-/m1/s1
Definition date:	2021-06-22
Last modified:	2024-09-27
Release date:	2021-12-15
Identifier:	O-octanoyl-D-serine

GCS

GCS
Name:	2-amino-2-deoxy-beta-D-glucopyranose
Formula:	C6 H13 N O5
SMILES:	OC1C(O)C(OC(O)C1N)CO
InChi:	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	beta-D-glucosamine
Definition date:	2000-06-20
Last modified:	2024-09-27
Identifier:	2-amino-2-deoxy-beta-D-glucopyranose

GD1

GD1
Name:	2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C7 H7 N5 O
SMILES:	O=C1c2c(cnc2N=C(N)N1)C=[N@H]
InChi:	InChI=1S/C7H7N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h1-2,8H,(H4,9,10,11,12,13)/b8-1-
Synonyms:	7-cyano-7-deazaguanine, bound form
Definition date:	2012-05-25
Last modified:	2024-09-27
Identifier:	2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

1JM

1JM
Name:	4-carboxy-N-methyl-D-phenylalanine
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(NC)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C11H13NO4/c1-12-9(11(15)16)6-7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
Definition date:	2013-02-15
Last modified:	2024-09-27
Release date:	2013-11-06
Identifier:	4-carboxy-N-methyl-D-phenylalanine

PPB

PPB
Name:	1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID
Formula:	C23 H27 B N4 O4
SMILES:	O=C(NC(B(O)O)Cc1cccc(C#N)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:	InChI=1S/C23H27BN4O4/c25-15-18-9-4-8-17(12-18)14-21(24(31)32)27-22(29)20-10-5-11-28(20)23(30)19(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19-21,31-32H,5,10-11,13-14,26H2,(H,27,29)/t19-,20+,21+/m1/s1
Synonyms:	(D)PHE-PRO-BOROPHE(M-CN)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	D-phenylalanyl-N-[(1R)-2-(3-cyanophenyl)-1-(dihydroxyboranyl)ethyl]-L-prolinamide

PR9

PR9
Name:	D-PROLINAMIDE
Formula:	C5 H10 N2 O
SMILES:	O=C(N)C1NCCC1
InChi:	InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m1/s1
Definition date:	2009-09-02
Last modified:	2024-09-27
Identifier:	D-prolinamide

PRF

PRF
Name:	7-DEAZA-7-AMINOMETHYL-GUANINE
Formula:	C7 H9 N5 O
SMILES:	O=C1c2c(cnc2N=C(N1)N)CN
InChi:	InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
Definition date:	2000-02-14
Last modified:	2024-09-27
Identifier:	2-amino-5-(aminomethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

23S

23S
Name:	(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2004-01-02
Last modified:	2024-09-27
Identifier:	3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine

24N

24N
Name:	1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Formula:	C23 H25 F2 N9 O
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CC(F)(F)c4ccccc4)nn3)c5c(N)ncnc25
InChi:	InChI=1S/C23H25F2N9O/c1-2-18(35)32-10-6-9-16(11-32)34-22-19(21(26)27-14-28-22)20(30-34)17-12-33(31-29-17)13-23(24,25)15-7-4-3-5-8-15/h3-5,7-8,12,14,16H,2,6,9-11,13H2,1H3,(H2,26,27,28)/t16-/m1/s1
Definition date:	2021-06-15
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

27C

27C
Name:	5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose
Formula:	C9 H18 F O7 P
SMILES:	FC1C(O)C(OC1O)COP(=O)(OCCCC)O
InChi:	InChI=1S/C9H18FO7P/c1-2-3-4-15-18(13,14)16-5-6-8(11)7(10)9(12)17-6/h6-9,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8-,9+/m1/s1
Synonyms:	Inhibitor CZ-27 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:	2011-05-11
Last modified:	2024-09-27
Identifier:	5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose

GLA

GLA
Name:	alpha-D-galactopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
Synonyms:	alpha-D-galactose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	alpha-D-galactopyranose

GLC

GLC
Name:	alpha-D-glucopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	alpha-D-glucose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	alpha-D-glucopyranose

GLO

GLO
Name:	D-glucose
Formula:	C6 H12 O6
SMILES:	O=CC(O)C(O)C(O)C(O)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
Synonyms:	D-GLUCOSE IN LINEAR FORM
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	D-glucose

289

289
Name:	D-glycero-alpha-D-manno-heptopyranose
Formula:	C7 H14 O7
SMILES:	OC1C(O)C(OC(O)C1O)C(O)CO
InChi:	InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5+,6-,7+/m1/s1
Synonyms:	D-glycero-alpha-D-manno-heptose
Definition date:	2007-11-09
Last modified:	2024-09-27
Identifier:	D-glycero-alpha-D-manno-heptopyranose

28J

28J
Name:	D-alloisoleucine
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)CC
InChi:	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
Definition date:	2013-09-10
Last modified:	2024-09-27
Release date:	2014-05-21
Identifier:	D-alloisoleucine

A1LTQ

A1LTQ
Name:	ADP-RIBOXANATED ARGININE
Formula:	C21 H32 N8 O15 P2
SMILES:	N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2OC1=N)C(O)=O
InChi:	InChI=1S/C21H32N8O15P2/c22-8(20(33)34)2-1-3-28-19-15(43-21(28)24)13(31)10(42-19)5-40-46(37,38)44-45(35,36)39-4-9-12(30)14(32)18(41-9)29-7-27-11-16(23)25-6-26-17(11)29/h6-10,12-15,18-19,24,30-32H,1-5,22H2,(H,33,34)(H,35,36)(H,37,38)(H2,23,25,26)/b24-21+/t8-,9+,10+,12+,13+,14+,15+,18+,19-/m0/s1
Synonyms:	5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid
Definition date:	2024-01-22
Last modified:	2024-09-27
Release date:	2024-07-03
Identifier:	5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid

<2 3 4 5 6 7 8910 11 12 13 14 15 16 17 >

238582

數據於2025-07-09公開中

PDB statistics

PDBj update info

Contact PDBj

numon