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PDB Info pages Status search Chemie search: 2245 results BIRD

DJT

DJT
Name:	(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
Formula:	C25 H25 Cl F N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(F)cc3)CC4)C5
InChi:	InChI=1S/C25H25ClFN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
Definition date:	2010-10-15
Last modified:	2011-06-04
Identifier:	(4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide

DLN

DLN
Name:	3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol
Formula:	C16 H15 N5 O
SMILES:	n1c(c3c(nc1)n(nc3C#Cc2cccc(O)c2)C(C)C)N
InChi:	InChI=1S/C16H15N5O/c1-10(2)21-16-14(15(17)18-9-19-16)13(20-21)7-6-11-4-3-5-12(22)8-11/h3-5,8-10,22H,1-2H3,(H2,17,18,19)
Definition date:	2009-11-09
Last modified:	2011-06-04
Identifier:	3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol

DMB

DMB
Name:	2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Formula:	C15 H14 N2 O3
SMILES:	O=C(O)c2ccccc2/N=N/c1cc(c(O)c(c1)C)C
InChi:	InChI=1S/C15H14N2O3/c1-9-7-11(8-10(2)14(9)18)16-17-13-6-4-3-5-12(13)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]benzoic acid

DRL

DRL
Name:	2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one
Formula:	C8 H10 N2 O S
SMILES:	O=C1C2=C(N=C(N1)C)CCSC2
InChi:	InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
Definition date:	2008-01-31
Last modified:	2011-06-04
Identifier:	2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one

DTM

DTM
Name:	2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
Formula:	C18 H22 N6 O3
SMILES:	n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)c(OC)c(OC)c3)C
InChi:	InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
Definition date:	2002-09-29
Last modified:	2011-06-04
Identifier:	N~6~-methyl-N~6~-(3,4,5-trimethoxybenzyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine

FI4

FI4
Name:	(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
Formula:	C20 H16 Cl F2 N5 O2
SMILES:	Fc4ccc(Oc1nc2c(c(n1)NCC(O)C)c(nn2)c3ccccc3Cl)c(F)c4
InChi:	InChI=1S/C20H16ClF2N5O2/c1-10(29)9-24-18-16-17(12-4-2-3-5-13(12)21)27-28-19(16)26-20(25-18)30-15-7-6-11(22)8-14(15)23/h2-8,10,29H,9H2,1H3,(H2,24,25,26,27,28)/t10-/m0/s1
Definition date:	2008-12-11
Last modified:	2011-06-04
Identifier:	(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol

FKA

FKA
Name:	BENZYL-CARBAMIC ACID [8-DEETHYL-ASCOMYCIN-8-YL]ETHYL ESTER
Formula:	C51 H76 N2 O14
SMILES:	O=C3C(=O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O)C(OC)C2)/C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC)C4OC3(O)C(C)CC4OC)C)C)CCOC(=O)NCc5ccccc5
InChi:	InChI=1S/C51H76N2O14/c1-30-22-31(2)24-43(63-7)46-44(64-8)26-33(4)51(61,67-46)47(57)48(58)53-20-13-12-16-38(53)49(59)66-45(32(3)25-36-17-18-39(54)42(27-36)62-6)34(5)40(55)28-41(56)37(23-30)19-21-65-50(60)52-29-35-14-10-9-11-15-35/h9-11,14-15,23,25,31,33-34,36-40,42-46,54-55,61H,12-13,16-22,24,26-29H2,1-8H3,(H,52,60)/b30-23+,32-25+/t31-,33+,34+,36-,37+,38-,39+,40-,42+,43-,44-,45+,46+,51+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,7,20,21-tetraoxo-1,4,5,6,7,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-8-yl]ethyl benzylcarbamate

FMB

FMB
Name:	FORMYCIN B
Formula:	C10 H12 N4 O5
SMILES:	O=C1NC=Nc2c1nnc2C3OC(CO)C(O)C3O
InChi:	InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1S)-1,4-anhydro-1-(7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol

FMP

FMP
Name:	FORMYCIN-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=P(OCC3OC(c2nnc1c2ncnc1N)C(O)C3O)(O)O
InChi:	InChI=1S/C10H14N5O7P/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(17)7(16)3(22-9)1-21-23(18,19)20/h2-3,7-9,16-17H,1H2,(H,14,15)(H2,11,12,13)(H2,18,19,20)/t3-,7-,8-,9+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-O-phosphono-D-ribitol

FOO

FOO
Name:	(3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}-2-IMINOBUT-3-ENOIC ACID
Formula:	C11 H13 N2 O7 P
SMILES:	O=C(O)C(=[N@H])C=Cc1c(cnc(c1O)C)COP(=O)(O)O
InChi:	InChI=1S/C11H13N2O7P/c1-6-10(14)8(2-3-9(12)11(15)16)7(4-13-6)5-20-21(17,18)19/h2-4,12,14H,5H2,1H3,(H,15,16)(H2,17,18,19)/b3-2+,12-9-
Definition date:	2006-11-16
Last modified:	2011-06-04
Identifier:	(3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-iminobut-3-enoic acid

FRE

FRE
Name:	FERULOYL COENZYME A
Formula:	C31 H44 N7 O20 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=Cc4cc(O)c(O)c(OC)c4
InChi:	InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b5-4+/t19-,24-,25-,26+,30-/m1/s1
Definition date:	2004-03-30
Last modified:	2011-06-04
Identifier:	S-{(9R,13R,15S)-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-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate (non-preferred name)

EQO

EQO
Name:	4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid
Formula:	C29 H24 O2
SMILES:	CC1(C)CC=C(C#Cc2ccccc2)c3cc(C=Cc4ccc(cc4)C(O)=O)ccc13
InChi:	InChI=1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+
Definition date:	2009-11-16
Last modified:	2011-06-04
Identifier:	4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid

ERG

ERG
Name:	ERGOSTEROL
Formula:	C28 H44 O
SMILES:	OC4CCC3(C(=CC=C1C3CCC2(C(C(/C=C/C(C)C(C)C)C)CCC12)C)C4)C
InChi:	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3beta,14beta,17alpha,22E)-ergosta-5,7,22-trien-3-ol

EXT

EXT
Name:	{5-hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate
Formula:	C10 H16 N2 O9 P2
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCOP(=O)(O)O)C
InChi:	InChI=1S/C10H16N2O9P2/c1-7-10(13)9(5-11-2-3-20-22(14,15)16)8(4-12-7)6-21-23(17,18)19/h4-5,13H,2-3,6H2,1H3,(H2,14,15,16)(H2,17,18,19)/b11-5+
Definition date:	2010-04-05
Last modified:	2011-06-04
Identifier:	{5-hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate

EZT

EZT
Name:	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Formula:	C27 H29 F3 O2
SMILES:	FC(F)(F)c1ccccc1C=CC4(O)CCC5C3C(c2ccc(O)cc2CC3)CCC45C
InChi:	InChI=1S/C27H29F3O2/c1-25-13-11-21-20-9-7-19(31)16-18(20)6-8-22(21)24(25)12-15-26(25,32)14-10-17-4-2-3-5-23(17)27(28,29)30/h2-5,7,9-10,14,16,21-22,24,31-32H,6,8,11-13,15H2,1H3/b14-10+/t21-,22-,24+,25+,26+/m1/s1
Definition date:	2007-03-08
Last modified:	2011-06-04
Identifier:	(14beta,17alpha)-17-{(E)-2-[2-(trifluoromethyl)phenyl]ethenyl}estra-1(10),2,4-triene-3,17-diol

FX3

FX3
Name:	5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose
Formula:	C15 H18 O8
SMILES:	O=C(OCC1OC(O)C(O)C1O)C=Cc2ccc(O)c(OC)c2
InChi:	InChI=1S/C15H18O8/c1-21-10-6-8(2-4-9(10)16)3-5-12(17)22-7-11-13(18)14(19)15(20)23-11/h2-6,11,13-16,18-20H,7H2,1H3/b5-3+/t11-,13-,14-,15+/m0/s1
Definition date:	2007-11-12
Last modified:	2011-06-04
Identifier:	5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose

2E3

2E3
Name:	(2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid
Formula:	C24 H28 O3
SMILES:	O=C(O)C=Cc3cc(c1c(cc2c(c1)C(CCC2(C)C)(C)C)C)c(O)cc3
InChi:	InChI=1S/C24H28O3/c1-15-12-19-20(24(4,5)11-10-23(19,2)3)14-17(15)18-13-16(6-8-21(18)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+
Definition date:	2009-01-19
Last modified:	2011-06-04
Identifier:	(2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid

GAS

GAS
Name:	N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID
Formula:	C23 H20 N4 O2
SMILES:	N#Cc3ccc(N/C(=N/CC(=O)O)NC(c1ccccc1)c2ccccc2)cc3
InChi:	InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(E)-N-{[(4-cyanophenyl)amino][(diphenylmethyl)amino]methylidene}glycine

GD9

GD9
Name:	2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
Formula:	C23 H27 N7 O3 S2
SMILES:	O=S(=O)(N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cccc4nncc45)N6CCOCC6)C
InChi:	InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
Definition date:	2008-06-03
Last modified:	2011-06-04
Identifier:	2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidine

GEG

GEG
Name:	(4E)-4-AMINOHEX-4-ENOIC ACID
Formula:	C6 H11 N O2
SMILES:	O=C(O)CCC(=C/C)N
InChi:	InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2H,3-4,7H2,1H3,(H,8,9)/b5-2+
Definition date:	2003-06-03
Last modified:	2011-06-04
Identifier:	(4E)-4-aminohex-4-enoic acid

5TN

5TN
Name:	(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID
Formula:	C26 H32 O4
SMILES:	O=C(O)C=Cc3cc(c1c(OCCC)cc2c(c1)C(CCC2(C)C)(C)C)c(O)cc3
InChi:	InChI=1S/C26H32O4/c1-6-13-30-23-16-21-20(25(2,3)11-12-26(21,4)5)15-19(23)18-14-17(7-9-22(18)27)8-10-24(28)29/h7-10,14-16,27H,6,11-13H2,1-5H3,(H,28,29)/b10-8+
Definition date:	2007-03-27
Last modified:	2011-06-04
Identifier:	(2E)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid

GPB

GPB
Name:	N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID
Formula:	C21 H23 N5 O5
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)CCc3c2c(nc(nc2nc3)N)C)CCC(=O)O
InChi:	InChI=1S/C21H23N5O5/c1-11-17-14(10-23-18(17)26-21(22)24-11)7-4-12-2-5-13(6-3-12)19(29)25-15(20(30)31)8-9-16(27)28/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,29)(H,27,28)(H,30,31)(H3,22,23,24,26)/t15-/m0/s1
Definition date:	2000-05-18
Last modified:	2011-06-04
Identifier:	N-({4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid

GQL

GQL
Name:	(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
Formula:	C21 H14 F2 N2 O2
SMILES:	Fc4cc(c1ccnc2N=CC(c12)=C(O)c3cccc(OC)c3)cc(F)c4
InChi:	InChI=1S/C21H14F2N2O2/c1-27-16-4-2-3-12(9-16)20(26)18-11-25-21-19(18)17(5-6-24-21)13-7-14(22)10-15(23)8-13/h2-11,26H,1H3/b20-18-
Definition date:	2009-05-27
Last modified:	2011-06-04
Identifier:	(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol

GS2

GS2
Name:	2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide
Formula:	C27 H27 F N8 O3
SMILES:	O=C(n2c1cc(c(OC)cc1cc2)Nc3nc5c(c(n3)Nc4cccc(F)c4C(=O)NC)ccn5)CN(C)C
InChi:	InChI=1S/C27H27FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-13H,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)
Definition date:	2008-09-24
Last modified:	2011-06-04
Identifier:	2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide

GS3

GS3
Name:	2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
Formula:	C27 H31 F N8 O2
SMILES:	Fc1cccc(c1C(=O)N)Nc3nc(nc2nccc23)Nc5ccc(N4CCN(C(C)C)CC4)cc5OC
InChi:	InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
Definition date:	2008-09-24
Last modified:	2011-06-04
Identifier:	2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide

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224931

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