Chemie Search results for query - 日本蛋白质结构数据库

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: 44955 results BIRD

DA3

DA3
Name:	(2S,5',S)-2-AMINO-3-(3-CARBOXY-2-ISOXAZOLIN-5-YL)PROPANOIC ACID
Formula:	C7 H10 N2 O5
SMILES:	O=C(O)C1=NOC(CC(C(=O)O)N)C1
InChi:	InChI=1S/C7H10N2O5/c8-4(6(10)11)1-3-2-5(7(12)13)9-14-3/h3-4H,1-2,8H2,(H,10,11)(H,12,13)/t3-,4-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(5S)-5-[(2S)-2-amino-2-carboxyethyl]-4,5-dihydroisoxazole-3-carboxylic acid

RT8

RT8
Name:	NALPHA-[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]-N-PYRIDIN-4-YL-D-TRYPTOPHANAMIDE
Formula:	C24 H28 N4 O2
SMILES:	O=C(Nc1ccncc1)C(NC(=O)C2CCC(C)CC2)Cc4c3ccccc3nc4
InChi:	InChI=1S/C24H28N4O2/c1-16-6-8-17(9-7-16)23(29)28-22(24(30)27-19-10-12-25-13-11-19)14-18-15-26-21-5-3-2-4-20(18)21/h2-5,10-13,15-17,22,26H,6-9,14H2,1H3,(H,28,29)(H,25,27,30)/t16-,17-,22-/m1/s1
Definition date:	2010-04-16
Last modified:	2011-06-04
Identifier:	Nalpha-[(trans-4-methylcyclohexyl)carbonyl]-N-pyridin-4-yl-D-tryptophanamide

DA4

DA4
Name:	3-ethynylbenzenesulfonamide
Formula:	C8 H7 N O2 S
SMILES:	N[S](=O)(=O)c1cccc(c1)C#C
InChi:	InChI=1S/C8H7NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
Definition date:	2009-11-05
Last modified:	2011-06-04
Identifier:	3-ethynylbenzenesulfonamide

RTA

RTA
Name:	(2,2':6',2''-TERPYRIDINE)-(2,2''-BIPYRIDINE) RUTHENIUM (II)
Formula:	C25 H42 N5 Ru
SMILES:	N14CCCCC1C2N8C(CCC2)C3N(CCCC3)[Ru+2]478N5CCC=CC5C6N7CCCC6
InChi:	InChI=1S/C15H26N3.C10H16N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13
Definition date:	2001-10-03
Last modified:	2011-06-04
Identifier:	[(6S)-6-[(2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN][(2R,2'S,2''R,6'S)-2,2':6',2''-terpiperidinato(3-)-kappa~3~N~1~,N~1'~,N~1''~]ruthenium(2+)

DA7

DA7
Name:	5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE
Formula:	C18 H19 F N4 O
SMILES:	O=C(NCCN(C)C)c2c1nc3c(c(c1ccc2)N)cccc3F
InChi:	InChI=1S/C18H19FN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)
Definition date:	1999-12-13
Last modified:	2011-06-04
Identifier:	9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide

DAA

DAA
Name:	8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDE
Formula:	C10 H19 Al F3 N2 O4
SMILES:	F[Al-](F)(F)OC(=O)NC(C(N)C)CCCCCC(=O)O
InChi:	InChI=1S/C10H20N2O4.Al.3FH/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	{(7R,8S)-8-amino-7-[(carboxy-kappaO)amino]nonanoato}(trifluoro)aluminate(1-)

DAD

DAD
Name:	2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE
Formula:	C10 H16 N5 O11 P3
SMILES:	Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
InChi:	InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[[(2R,5S)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

DAE

DAE
Name:	O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-BERYLLIUM TRIFLUORIDE
Formula:	C8 H10 Be F3 N3 O11 P2
SMILES:	O[P](=O)(OCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F
InChi:	InChI=1S/C8H11N3O11P2.Be.3FH/c12-10(13)6-1-2-7(8(5-6)11(14)15)9-3-4-21-24(19,20)22-23(16,17)18
Definition date:	1999-09-22
Last modified:	2011-06-04
Identifier:	[[2-[(2,4-dinitrophenyl)amino]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-trifluoro-beryllium

DAJ

DAJ
Name:	DECARBAMOYL-2,7-DIAMINOMITOSENE
Formula:	C13 H16 N3 O2
SMILES:	O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(C3)[NH3+])C
InChi:	InChI=1S/C13H15N3O2/c1-5-8-3-7(14)4-16(8)11-9(5)13(18)10(15)6(2)12(11)17/h7H,3-4,14-15H2,1-2H3/p+1/t7-/m1/s1
Definition date:	2001-08-01
Last modified:	2011-06-04
Identifier:	(2R)-7-amino-6,9-dimethyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-aminium

RTP

RTP
Name:	RIBAVIRIN TRIPHOSPHATE
Formula:	C8 H15 N4 O14 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n1nc(nc1)C(=O)N)C(O)C2O
InChi:	InChI=1S/C8H15N4O14P3/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(24-8)1-23-28(19,20)26-29(21,22)25-27(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H,19,20)(H,21,22)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1
Definition date:	2002-09-09
Last modified:	2011-06-04
Identifier:	1-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-1,2,4-triazole-3-carboxamide

DAK

DAK
Name:	4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA
Formula:	C32 H47 N8 O17 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc4ccc(N(C)C)cc4
InChi:	InChI=1S/C32H47N8O17P3S/c1-32(2,27(44)30(45)35-12-11-22(41)34-13-14-61-23(42)10-7-19-5-8-20(9-6-19)39(3)4)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)40-18-38-24-28(33)36-17-37-29(24)40/h5-10,17-18,21,25-27,31,43-44H,11-16H2,1-4H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b10-7+/t21-,25-,26-,27+,31-/m1/s1
Definition date:	2000-01-14
Last modified:	2011-06-04
Identifier:	S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-3-[4-(dimethylamino)phenyl]prop-2-enethioate (non-preferred name)

RTR

RTR
Name:	4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE
Formula:	C20 H19 Cl N4 O3 S2
SMILES:	O=C2N(Cc1ccc(C(=[N@H])N)cc1)CCN(C2)S(=O)(=O)c4sc3cc(Cl)ccc3c4
InChi:	InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)
Definition date:	2003-01-31
Last modified:	2011-06-04
Identifier:	4-({4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide

DAP

DAP
Name:	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE
Formula:	C16 H15 N5
SMILES:	[N@H]=C(N)c3ccc(c2cc1ccc(cc1n2)C(=[N@H])N)cc3
InChi:	InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide

DAQ

DAQ
Name:	O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
Formula:	C9 H12 Be F3 N3 O11 P2
SMILES:	O[P](=O)(OCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)O[P](O)(=O)O[Be](F)(F)F
InChi:	InChI=1S/C9H13N3O11P2.Be.3FH/c13-11(14)7-2-3-8(9(6-7)12(15)16)10-4-1-5-22-25(20,21)23-24(17,18)19
Definition date:	1999-09-22
Last modified:	2011-06-04
Identifier:	[[3-[(2,4-dinitrophenyl)amino]propoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-trifluoro-beryllium

RU
Name:	RUTHENIUM ION
Formula:	Ru
SMILES:	[Ru+3]
InChi:	InChI=1S/Ru/q+3
Definition date:	2003-02-14
Last modified:	2011-06-04
Identifier:	ruthenium(3+)

DAX

DAX
Name:	5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-AMINOACRIDINE-4-CARBOXAMIDE
Formula:	C18 H21 Br N4 O
SMILES:	O=C(NCC[NH+](C)C)c1c3c(ccc1)c(c2cccc(Br)c2[nH+]3)N
InChi:	InChI=1S/C18H19BrN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)/p+2
Definition date:	2002-07-22
Last modified:	2011-06-04
Identifier:	9-amino-4-bromo-5-{[2-(dimethylammonio)ethyl]carbamoyl}acridinium

DAZ

DAZ
Name:	diaminozinc
Formula:	H4 N2 Zn
SMILES:	[Zn](N)N
InChi:	InChI=1S/2H2N.Zn/h2*1H2
Definition date:	2007-10-03
Last modified:	2011-06-04
Identifier:	zinc diazanide

DB0

DB0
Name:	N-(DIBENZO[B,F]OXEPIN-10-YLMETHYL)-N-METHYL-N-PROP-2-YNYLAMINE
Formula:	C19 H17 N O
SMILES:	C#CCN(C)CC1=Cc3c(Oc2c1cccc2)cccc3
InChi:	InChI=1S/C19H17NO/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19/h1,4-11,13H,12,14H2,2H3
Definition date:	2005-12-27
Last modified:	2011-06-04
Identifier:	N-(dibenzo[b,f]oxepin-10-ylmethyl)-N-methylprop-2-yn-1-amine

DB3

DB3
Name:	(11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
Formula:	C44 H83 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCC=C/C/C=C/CCCCC
InChi:	InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(48)45-36(35-53-44-43(52)42(51)41(50)38(34-46)54-44)40(49)37(47)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36-38,40-44,46-47,49-52H,3-10,12,14-16,19-35H2,1-2H3,(H,45,48)/b13-11+,18-17-/t36-,37+,38+,40-,41-,42-,43+,44-/m0/s1
Definition date:	2010-12-06
Last modified:	2011-06-04
Identifier:	(11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide

DB6

DB6
Name:	(11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
Formula:	C44 H83 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCC/C=C/C/C=C/CCCCC
InChi:	InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(48)45-36(35-53-44-43(52)42(51)41(50)38(34-46)54-44)40(49)37(47)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36-38,40-44,46-47,49-52H,3-10,12,14-16,19-35H2,1-2H3,(H,45,48)/b13-11+,18-17+/t36-,37+,38+,40-,41+,42-,43+,44-/m0/s1
Definition date:	2010-12-06
Last modified:	2011-06-04
Identifier:	(11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide

RUB

RUB
Name:	RIBULOSE-1,5-DIPHOSPHATE
Formula:	C5 H12 O11 P2
SMILES:	O=P(O)(O)OCC(O)C(O)C(=O)COP(=O)(O)O
InChi:	InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1,5-di-O-phosphono-D-ribulose

DB9

DB9
Name:	2-{4'-[AMINO(IMINO)METHYL]BIPHENYL-3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE
Formula:	C21 H18 N6
SMILES:	[N@H]=C(N)c1ccc(cc1)c4cccc(c3nc2ccc(cc2n3)C(=[N@H])N)c4
InChi:	InChI=1S/C21H18N6/c22-19(23)13-6-4-12(5-7-13)14-2-1-3-16(10-14)21-26-17-9-8-15(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)
Definition date:	2006-10-23
Last modified:	2011-06-04
Identifier:	2-(4'-carbamimidoylbiphenyl-3-yl)-1H-benzimidazole-6-carboximidamide

DBA

DBA
Name:	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID
Formula:	C10 H12 O3
SMILES:	O=C(O)COc1c(cccc1C)C
InChi:	InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2,6-dimethylphenoxy)acetic acid

RUF

RUF
Name:	7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione
Formula:	C18 H21 Cl N6 O2
SMILES:	Clc1ccccc1Cn2c(nc3c2C(=O)N(C(=O)N3C)C)N4CCNCC4
InChi:	InChI=1S/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-5-3-4-6-13(12)19)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-11H2,1-2H3
Definition date:	2009-02-03
Last modified:	2011-06-04
Identifier:	7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione

DBD

DBD
Name:	7-(1,1-DIOXO-1H-BENZO[D]ISOTHIAZOL-3-YLOXYMETHYL)-2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
Formula:	C18 H14 N2 O9 S2
SMILES:	O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2COC4=NS(=O)(=O)c3ccccc34
InChi:	InChI=1S/C18H14N2O9S2/c21-14(18(24)25)19-16-12(17(22)23)9-5-6-28-10(13(9)30-16)7-29-15-8-3-1-2-4-11(8)31(26,27)20-15/h1-4,10H,5-7H2,(H,19,21)(H,22,23)(H,24,25)/t10-/m0/s1
Definition date:	2002-03-26
Last modified:	2011-06-04
Identifier:	(7S)-2-[(carboxycarbonyl)amino]-7-{[(1,1-dioxido-1,2-benzisothiazol-3-yl)oxy]methyl}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid

<1756 1757 1758 1759 1760 1761 176217631764 1765 1766 1767 1768 1769 1770 1771 >

235183

数据于2025-04-23公开中

PDB statistics

PDBj update info

Contact PDBj

numon