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PDB Info pages Status search Chemie search: 784 results BIRD

M9F

M9F
Name:	(2S)-2-AMINO-6-[[(2R)-1-[[(2S)-1-HYDROXY-3-METHYLSULFANYL-1-OXO-BUTAN-2-YL]AMINO]-1-OXO-3-SULFANYL-PROPAN-2-YL]AMINO]-6-OXO-HEXANOIC ACID
Formula:	C14 H25 N3 O6 S2
SMILES:	CS[CH](C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O
InChi:	InChI=1S/C14H25N3O6S2/c1-7(25-2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t7-,8-,9-,11+/m0/s1
Definition date:	2011-01-21
Last modified:	2011-08-26
Identifier:	(2S)-2-amino-6-[[(2R)-1-[[(2S)-1-hydroxy-3-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid

DOY

DOY
Name:	[(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid
Formula:	C17 H15 N O3 S
SMILES:	O=C(O)CN2c3c(SC(c1ccccc1)CC2=O)cccc3
InChi:	InChI=1S/C17H15NO3S/c19-16-10-15(12-6-2-1-3-7-12)22-14-9-5-4-8-13(14)18(16)11-17(20)21/h1-9,15H,10-11H2,(H,20,21)/t15-/m0/s1
Definition date:	2010-10-09
Last modified:	2011-08-19
Identifier:	[(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid

YKN

YKN
Name:	2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE
Formula:	C13 H9 F2 N3 O S
SMILES:	FC(F)(Sc1nc(ccn1)C)c2nc3ccccc3o2
InChi:	InChI=1S/C13H9F2N3OS/c1-8-6-7-16-12(17-8)20-13(14,15)11-18-9-4-2-3-5-10(9)19-11/h2-7H,1H3
Definition date:	2011-05-31
Last modified:	2011-08-12
Identifier:	2-{difluoro[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1,3-benzoxazole

AGT

AGT
Name:	S-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-L-CYSTEINE
Formula:	C8 H20 N4 O2 S
SMILES:	O=C(O)C(N)CSC(NCCCCN)N
InChi:	InChI=1S/C8H20N4O2S/c9-3-1-2-4-12-8(11)15-5-6(10)7(13)14/h6,8,12H,1-5,9-11H2,(H,13,14)/t6-,8-/m0/s1
Definition date:	2006-08-17
Last modified:	2011-08-04
Identifier:	S-{(S)-amino[(4-aminobutyl)amino]methyl}-L-cysteine

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

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

IPU

IPU
Name:	S-ISOPROPYL-ISOTHIOUREA
Formula:	C4 H10 N2 S
SMILES:	[N@H]=C(SC(C)C)N
InChi:	InChI=1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6)
Definition date:	2000-02-02
Last modified:	2011-06-04
Identifier:	1-methylethyl imidothiocarbamate

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

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

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

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

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

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

GDN

GDN
Name:	GLUTATHIONE S-(2,4 DINITROBENZENE)
Formula:	C16 H19 N5 O10 S
SMILES:	O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
InChi:	InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	L-gamma-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine

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

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

L03

L03
Name:	3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE
Formula:	C9 H8 Cl N3 S
SMILES:	Clc1ccc(cc1)c2nnc(SC)n2
InChi:	InChI=1S/C9H8ClN3S/c1-14-9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)
Definition date:	2004-11-01
Last modified:	2011-06-04
Identifier:	3-(4-chlorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole

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

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

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

CK3

CK3
Name:	N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE
Formula:	C10 H11 N5 O S
SMILES:	n2c(c1sc(nc1C)C)ccnc2N/C=NO
InChi:	InChI=1S/C10H11N5OS/c1-6-9(17-7(2)14-6)8-3-4-11-10(15-8)12-5-13-16/h3-5,16H,1-2H3,(H,11,12,13,15)
Definition date:	2003-07-07
Last modified:	2011-06-04
Identifier:	N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyimidoformamide

CK5

CK5
Name:	3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
Formula:	C15 H14 N4 O S
SMILES:	n2c(c1sc(nc1C)C)ccnc2Nc3cccc(O)c3
InChi:	InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(20)8-11/h3-8,20H,1-2H3,(H,16,18,19)
Definition date:	2003-07-10
Last modified:	2011-06-04
Identifier:	3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}phenol

CK6

CK6
Name:	4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
Formula:	C15 H15 N5 O S
SMILES:	n1c(c(sc1NC)c2nc(ncc2)Nc3ccc(O)cc3)C
InChi:	InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
Definition date:	2003-07-11
Last modified:	2011-06-04
Identifier:	4-({4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl}amino)phenol

CK7

CK7
Name:	[4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
Formula:	C14 H12 N6 O2 S
SMILES:	[O-][N+](=O)c1cccc(c1)Nc3nc(c2sc(nc2C)N)ccn3
InChi:	InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
Definition date:	2003-07-11
Last modified:	2011-06-04
Identifier:	4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine

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