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PDB Info pages Status search Chemie search: 782 results BIRD

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

EPY

EPY
Name:	1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-NITROPHENOXY-PROPANE
Formula:	C19 H26 N4 O10 S
SMILES:	O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(COc1ccc(cc1)[N+]([O-])=O)CO
InChi:	InChI=1S/C19H26N4O10S/c20-14(19(29)30)5-6-16(25)22-15(18(28)21-7-17(26)27)10-34-13(8-24)9-33-12-3-1-11(2-4-12)23(31)32/h1-4,13-15,24H,5-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t13-,14-,15-/m0/s1
Definition date:	2000-02-10
Last modified:	2011-06-04
Identifier:	L-gamma-glutamyl-S-{(1S)-2-hydroxy-1-[(4-nitrophenoxy)methyl]ethyl}-L-cysteinylglycine

Q80

Q80
Name:	2-({[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine
Formula:	C22 H21 Cl F3 N3 O2 S
SMILES:	FC(F)(F)c1ccc(nc1)SCC2OC(OC2)(Cn3cncc3)CCc4ccc(Cl)cc4
InChi:	InChI=1S/C22H21ClF3N3O2S/c23-18-4-1-16(2-5-18)7-8-21(14-29-10-9-27-15-29)30-12-19(31-21)13-32-20-6-3-17(11-28-20)22(24,25)26/h1-6,9-11,15,19H,7-8,12-14H2/t19-,21+/m0/s1
Definition date:	2009-06-04
Last modified:	2011-06-04
Identifier:	2-({[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine

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

P1L

P1L
Name:	S-PALMITOYL-L-CYSTEINE
Formula:	C19 H37 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1
Definition date:	2005-09-03
Last modified:	2011-06-04
Identifier:	S-hexadecanoyl-L-cysteine

ESG

ESG
Name:	L-gamma-glutamyl-S-[(3S)-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-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid

RW4

RW4
Name:	3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C27 H26 N10 S
SMILES:	n1c2ccc(cc2sc1N)c4nn(c3ncnc(N)c34)Cc6cc7ccccc7nc6N5CCN(C)CC5
InChi:	InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31)
Definition date:	2009-11-09
Last modified:	2011-06-04
Identifier:	3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

SC
Name:	2-DEOXY-CYTIDINE-5'-THIOPHOSPHORATE
Formula:	C9 H14 N3 O6 P S
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)O
InChi:	InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-thiophosphonocytidine

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

SDC

SDC
Name:	S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINE
Formula:	C5 H12 N2 O4 S2
SMILES:	O=S(=O)(N)CCSCC(N)C(=O)O
InChi:	InChI=1S/C5H12N2O4S2/c6-4(5(8)9)3-12-1-2-13(7,10)11/h4H,1-3,6H2,(H,8,9)(H2,7,10,11)/t4-/m0/s1
Definition date:	2003-10-08
Last modified:	2011-06-04
Identifier:	S-(2-sulfamoylethyl)-L-cysteine

STH

STH
Name:	2-AMINO-4H-1,3-BENZOXATHIIN-4-OL
Formula:	C8 H9 N O2 S
SMILES:	O2c1ccccc1C(O)SC2N
InChi:	InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1
Definition date:	2004-11-03
Last modified:	2011-06-04
Identifier:	(2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol

STS

STS
Name:	2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
Formula:	C15 H16 N3 S
SMILES:	SCC(c2nc1c[nH+]ccc1n2)Cc3ccccc3
InChi:	InChI=1S/C15H15N3S/c19-10-12(8-11-4-2-1-3-5-11)15-17-13-6-7-16-9-14(13)18-15/h1-7,9,12,19H,8,10H2,(H,17,18)/p+1/t12-/m1/s1
Definition date:	2005-01-12
Last modified:	2011-06-04
Identifier:	2-[(1S)-1-benzyl-2-sulfanylethyl]-1H-imidazo[4,5-c]pyridin-5-ium

TMZ

TMZ
Name:	3,4,5-TRIMETHYL-1,3-THIAZOLE
Formula:	C6 H10 N S
SMILES:	s1c(c([n+](c1)C)C)C
InChi:	InChI=1S/C6H10NS/c1-5-6(2)8-4-7(5)3/h4H,1-3H3/q+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3,4,5-trimethyl-1,3-thiazol-3-ium

TNB

TNB
Name:	S-(2,3,6-TRINITROPHENYL)CYSTEINE
Formula:	C9 H8 N4 O8 S
SMILES:	[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1SCC(C(=O)O)N)[N+]([O-])=O
InChi:	InChI=1S/C9H8N4O8S/c10-5(9(14)15)3-22-8-6(12(18)19)1-4(11(16)17)2-7(8)13(20)21/h1-2,5H,3,10H2,(H,14,15)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	S-(2,4,6-trinitrophenyl)-L-cysteine

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

F3F

F3F
Name:	S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE
Formula:	C16 H8 F3 N3 O2 S
SMILES:	FC(F)(F)c3nnc(SC(=O)c2oc(C#Cc1ccccc1)cc2)n3
InChi:	InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22)
Definition date:	2006-05-16
Last modified:	2011-06-04
Identifier:	S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate

DYS

DYS
Name:	S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine
Formula:	C11 H16 N2 O4 S
SMILES:	O=C(O)C(N)CSc1cc(cc(O)c1O)CCN
InChi:	InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1
Definition date:	2007-10-08
Last modified:	2011-06-04
Identifier:	S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine

FFM

FFM
Name:	S-[(1R,2R)-2-hydroxy-1-methyl-2-phosphonoethyl]-L-cysteine
Formula:	C6 H14 N O6 P S
SMILES:	C[CH](SC[CH](N)C(O)=O)[CH](O)[P](O)(O)=O
InChi:	InChI=1S/C6H14NO6PS/c1-3(6(10)14(11,12)13)15-2-4(7)5(8)9/h3-4,6,10H,2,7H2,1H3,(H,8,9)(H2,11,12,13)/t3-,4+,6-/m1/s1
Definition date:	2009-12-08
Last modified:	2011-06-04
Identifier:	(2R)-2-azanyl-3-[(1R,2R)-1-hydroxy-1-phosphono-propan-2-yl]sulfanyl-propanoic acid

ED8

ED8
Name:	5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
Formula:	C26 H25 F3 N4 O3 S
SMILES:	FC(F)(F)c1ccccc1COc5c(sc(n4cnc3ccc(OC2CCN(C)CC2)cc34)c5)C(=O)N
InChi:	InChI=1S/C26H25F3N4O3S/c1-32-10-8-17(9-11-32)36-18-6-7-20-21(12-18)33(15-31-20)23-13-22(24(37-23)25(30)34)35-14-16-4-2-3-5-19(16)26(27,28)29/h2-7,12-13,15,17H,8-11,14H2,1H3,(H2,30,34)
Definition date:	2010-08-05
Last modified:	2011-06-04
Identifier:	5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide

FNM

FNM
Name:	(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4H-imidazol-4-one
Formula:	C17 H17 N3 O S
SMILES:	CSC1=N[C](C)(C(=O)N1Nc2ccccc2)c3ccccc3
InChi:	InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1
Definition date:	2010-01-21
Last modified:	2011-06-04
Identifier:	(5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-phenylazanyl-imidazol-4-one

FRS

FRS
Name:	1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea
Formula:	C18 H17 F3 N10 O2 S
SMILES:	O=C(N=C1/SC(=CN1)CCNc3ncnc(Nc2ncnn2)c3)Nc4cc(oc4C(F)(F)F)C
InChi:	InChI=1S/C18H17F3N10O2S/c1-9-4-11(14(33-9)18(19,20)21)28-16(32)30-17-23-6-10(34-17)2-3-22-12-5-13(25-7-24-12)29-15-26-8-27-31-15/h4-8H,2-3H2,1H3,(H2,23,28,30,32)(H3,22,24,25,26,27,29,31)
Definition date:	2008-06-10
Last modified:	2011-06-04
Identifier:	1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea

GBP

GBP
Name:	S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE
Formula:	C17 H23 Br N4 O8 S
SMILES:	Brc1ccc(N(O)C(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1
InChi:	InChI=1S/C17H23BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-,17-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	L-gamma-glutamyl-S-[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]-L-cysteinylglycine

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