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: 780 results BIRD

2GA

2GA
Name:	2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE
Formula:	C8 H10 N4 S3
SMILES:	n2c(c(Sc1nnc(SC)s1)c(n2)C)C
InChi:	InChI=1S/C8H10N4S3/c1-4-6(5(2)10-9-4)14-8-12-11-7(13-3)15-8/h1-3H3,(H,9,10)
Definition date:	2011-03-25
Last modified:	2011-06-10
Identifier:	2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(methylsulfanyl)-1,3,4-thiadiazole

VRX

VRX
Name:	(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID
Formula:	C18 H15 F N2 O4 S
SMILES:	O=C(O)C(NC1=NC(=O)C(S1)=Cc2oc(cc2)CC)c3ccc(F)cc3
InChi:	InChI=1S/C18H15FN2O4S/c1-2-12-7-8-13(25-12)9-14-16(22)21-18(26-14)20-15(17(23)24)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,23,24)(H,20,21,22)/b14-9-/t15-/m0/s1
Definition date:	2006-08-02
Last modified:	2011-06-04
Identifier:	(2S)-({(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)ethanoic acid

TPP

TPP
Name:	THIAMINE DIPHOSPHATE
Formula:	C12 H19 N4 O7 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
InChi:	InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

TPS

TPS
Name:	THIAMIN PHOSPHATE
Formula:	C12 H18 N4 O4 P S
SMILES:	O=P(O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
InChi:	InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium

VSV

VSV
Name:	N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-D-GLUTAMIC ACID
Formula:	C23 H21 N3 O7 S
SMILES:	O=C1C(SC(=O)N1)=Cc3ccc(NCc2cc(C(=O)NC(C(=O)O)CCC(=O)O)ccc2)cc3
InChi:	InChI=1S/C23H21N3O7S/c27-19(28)9-8-17(22(31)32)25-20(29)15-3-1-2-14(10-15)12-24-16-6-4-13(5-7-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-11-/t17-/m1/s1
Definition date:	2010-02-10
Last modified:	2011-06-04
Identifier:	N-({3-[({4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-D-glutamic acid

ZEC

ZEC
Name:	6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE
Formula:	C7 H6 N2 O3 S2
SMILES:	O=S(=O)(c1nc2ccc(O)cc2s1)N
InChi:	InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)
Definition date:	2005-09-13
Last modified:	2011-06-04
Identifier:	6-hydroxy-1,3-benzothiazole-2-sulfonamide

Y8L

Y8L
Name:	3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE
Formula:	C19 H22 N6 O S
SMILES:	O=C4SC(c3nc(/N=C2C=CC(N1CCNCC1)=CC2)ncc3)=C(N4C)C
InChi:	InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3,5-8,20H,4,9-12H2,1-2H3/b22-14+
Definition date:	2010-08-01
Last modified:	2011-06-04
Identifier:	3,4-dimethyl-5-(2-{[(1Z)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]amino}pyrimidin-4-yl)-1,3-thiazol-2(3H)-one

U73

U73
Name:	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE
Formula:	C13 H15 N3 O S
SMILES:	O=C(N=C1/SC(=CN1)C(C)C)Cc2cccnc2
InChi:	InChI=1S/C13H15N3OS/c1-9(2)11-8-15-13(18-11)16-12(17)6-10-4-3-5-14-7-10/h3-5,7-9H,6H2,1-2H3,(H,15,16,17)
Definition date:	2005-06-06
Last modified:	2011-06-04
Identifier:	N-[(2Z)-5-(1-methylethyl)-1,3-thiazol-2(3H)-ylidene]-2-pyridin-3-ylacetamide

ZYT

ZYT
Name:	2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol
Formula:	C9 H10 N2 O S2
SMILES:	Oc1nc(SC)nc1Cc2sccc2
InChi:	InChI=1S/C9H10N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-4,12H,5H2,1H3,(H,10,11)
Definition date:	2009-07-03
Last modified:	2011-06-04
Identifier:	2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol

WWF

WWF
Name:	C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN
Formula:	C17 H29 N4 O8 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)CC(C)C
InChi:	InChI=1S/C17H28N4O8P2S/c1-10(2)7-14(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)15(32-17)5-6-28-31(26,27)29-30(23,24)25/h8,10,14,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t14-/m1/s1
Definition date:	2004-11-16
Last modified:	2011-06-04
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-1-hydroxy-3-methylbutyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

ZZ3

ZZ3
Name:	4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE
Formula:	C5 H8 N4 S
SMILES:	S(c1nc(nc(n1)N)C)C
InChi:	InChI=1S/C5H8N4S/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
Definition date:	2009-05-08
Last modified:	2011-06-04
Identifier:	4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine

TEI

TEI
Name:	2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID
Formula:	C16 H16 N2 O3 S
SMILES:	N#Cc1c(OCC(C)C)ccc(c1)c2nc(c(s2)C(=O)O)C
InChi:	InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
Definition date:	2002-11-12
Last modified:	2011-06-04
Identifier:	2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

ZZ5

ZZ5
Name:	3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
Formula:	C17 H15 N5 O2 S
SMILES:	N#Cc1c(c2c(nc1N)sc(c2N)C(=O)N)c3ccc(OCC)cc3
InChi:	InChI=1S/C17H15N5O2S/c1-2-24-9-5-3-8(4-6-9)11-10(7-18)15(20)22-17-12(11)13(19)14(25-17)16(21)23/h3-6H,2,19H2,1H3,(H2,20,22)(H2,21,23)
Definition date:	2009-05-08
Last modified:	2011-06-04
Identifier:	3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

T04

T04
Name:	2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
Formula:	C23 H20 F N3 O6 S2
SMILES:	OC(=O)CC[CH](NC(=O)c1cc(CNc2ccc(cc2)C=C3SC(=S)NC3=O)ccc1F)C(O)=O
InChi:	InChI=1S/C23H20FN3O6S2/c24-16-6-3-13(9-15(16)20(30)26-17(22(32)33)7-8-19(28)29)11-25-14-4-1-12(2-5-14)10-18-21(31)27-23(34)35-18/h1-6,9-10,17,25H,7-8,11H2,(H,26,30)(H,28,29)(H,32,33)(H,27,31,34)/b18-10-/t17-/m1/s1
Definition date:	2011-01-20
Last modified:	2011-06-04
Identifier:	2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid

SLU

SLU
Name:	5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE
Formula:	C21 H18 N8 O8 S3
SMILES:	O=S(=O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)NC(=O)c4nc(sc4)c5nc6ccc(O)cc6s5
InChi:	InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21-/m1/s1
Definition date:	2005-09-06
Last modified:	2011-06-04
Identifier:	5'-O-({[2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)adenosine

TFL

TFL
Name:	2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM
Formula:	C16 H17 N2 O S
SMILES:	Oc3ccc1c(sc([n+]1C)c2ccc(N(C)C)cc2)c3
InChi:	InChI=1S/C16H16N2OS/c1-17(2)12-6-4-11(5-7-12)16-18(3)14-9-8-13(19)10-15(14)20-16/h4-10H,1-3H3/p+1
Definition date:	2006-10-19
Last modified:	2011-06-04
Identifier:	2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium

XD9

XD9
Name:	(4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID
Formula:	C12 H14 O5 S
SMILES:	O=C(O)C2(O)c1c(sc(c1)/C=C/C)C(O)C(O)C2
InChi:	InChI=1S/C12H14O5S/c1-2-3-6-4-7-10(18-6)9(14)8(13)5-12(7,17)11(15)16/h2-4,8-9,13-14,17H,5H2,1H3,(H,15,16)/b3-2+/t8-,9+,12-/m1/s1
Definition date:	2010-04-30
Last modified:	2011-06-04
Identifier:	(4R,6R,7S)-4,6,7-trihydroxy-2-[(1E)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid

VXR

VXR
Name:	(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE
Formula:	C18 H15 F N6 O2 S
SMILES:	Fc1ccc(cc1)C(c2nnnn2)NC3=NC(=O)C(S3)=Cc4oc(cc4)CC
InChi:	InChI=1S/C18H15FN6O2S/c1-2-12-7-8-13(27-12)9-14-17(26)21-18(28-14)20-15(16-22-24-25-23-16)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,20,21,26)(H,22,23,24,25)/b14-9-/t15-/m0/s1
Definition date:	2006-08-15
Last modified:	2011-06-04
Identifier:	(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-2-{[(S)-(4-fluorophenyl)(1H-tetrazol-5-yl)methyl]amino}-1,3-thiazol-4(5H)-one

T1N

T1N
Name:	(2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid
Formula:	C14 H14 O2 S
SMILES:	O=C(O)C(c1ccc2c(c1)ccc(SC)c2)C
InChi:	InChI=1S/C14H14O2S/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-/m0/s1
Definition date:	2010-07-07
Last modified:	2011-06-04
Identifier:	(2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid

L9X

L9X
Name:	L-gamma-glutamyl-S-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine
Formula:	C16 H24 N4 O8 S
SMILES:	CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O
InChi:	InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10+/m0/s1
Definition date:	2010-01-18
Last modified:	2011-06-04
Identifier:	2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid

WGZ

WGZ
Name:	5-{6-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE
Formula:	C27 H27 F3 N4 O3 S
SMILES:	FC(F)(F)c1ccccc1C(Oc5c(sc(n4cnc3ccc(OC2CCN(C)CC2)cc34)c5)C(=O)N)C
InChi:	InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
Definition date:	2010-08-05
Last modified:	2011-06-04
Identifier:	5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide

THV

THV
Name:	C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE
Formula:	C16 H26 N4 O8 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc([C-](O)C(C)C)[n+](c1C)Cc2cnc(nc2N)C
InChi:	InChI=1S/C16H26N4O8P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(31-16)5-6-27-30(25,26)28-29(22,23)24/h7,9,21H,5-6,8H2,1-4H3,(H,25,26)(H2,17,18,19)(H2,22,23,24)
Definition date:	2004-11-30
Last modified:	2011-06-04
Identifier:	1-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-1-hydroxy-2-methylpropan-1-ide

THW

THW
Name:	C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE
Formula:	C19 H24 N4 O8 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc2sc([C-](O)c1ccccc1)[n+](c2C)Cc3cnc(nc3N)C
InChi:	InChI=1S/C19H24N4O8P2S/c1-12-16(8-9-30-33(28,29)31-32(25,26)27)34-19(17(24)14-6-4-3-5-7-14)23(12)11-15-10-21-13(2)22-18(15)20/h3-7,10,24H,8-9,11H2,1-2H3,(H,28,29)(H2,20,21,22)(H2,25,26,27)
Definition date:	2004-11-30
Last modified:	2011-06-04
Identifier:	{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}(hydroxy)phenylmethanide

X0U

X0U
Name:	6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE
Formula:	C9 H8 N2 O2 S
SMILES:	O2c3cc1sc(nc1cc3OCC2)N
InChi:	InChI=1S/C9H8N2O2S/c10-9-11-5-3-6-7(4-8(5)14-9)13-2-1-12-6/h3-4H,1-2H2,(H2,10,11)
Definition date:	2009-12-17
Last modified:	2011-06-04
Identifier:	6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

TL5

TL5
Name:	(5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE
Formula:	C12 H16 O2 S
SMILES:	O=C1SC(/C=C(/C=C/C)C)(C(O)=C1C)C
InChi:	InChI=1S/C12H16O2S/c1-5-6-8(2)7-12(4)10(13)9(3)11(14)15-12/h5-7,13H,1-4H3/b6-5+,8-7+/t12-/m1/s1
Definition date:	2005-08-29
Last modified:	2011-06-04
Identifier:	(5R)-4-hydroxy-3,5-dimethyl-5-[(1E,3E)-2-methylpenta-1,3-dien-1-yl]thiophen-2(5H)-one

<17 18 19 20 21 22 23 24 25 262728 29 30 31 32 >

221371

數據於2024-06-19公開中

PDB statistics

PDBj update info

Contact PDBj

numon