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PDB Info pages Status search Chemie search: 35338 results BIRD

35B

35B
Name:	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid
Formula:	C21 H23 Br N2 O6 S
SMILES:	O=C(NC)N(c1cccc(c1)c2sc(c(OCC(=O)O)c2Br)C(=O)O)C3CCCCC3
InChi:	InChI=1S/C21H23BrN2O6S/c1-23-21(29)24(13-7-3-2-4-8-13)14-9-5-6-12(10-14)18-16(22)17(30-11-15(25)26)19(31-18)20(27)28/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,23,29)(H,25,26)(H,27,28)
Definition date:	2008-04-22
Last modified:	2011-06-04
Identifier:	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid

171

171
Name:	2-PHENYLAMINO-ETHANESULFONIC ACID
Formula:	C8 H11 N O3 S
SMILES:	O=S(=O)(O)CCNc1ccccc1
InChi:	InChI=1S/C8H11NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11,12)
Definition date:	2004-04-05
Last modified:	2011-06-04
Identifier:	2-(phenylamino)ethanesulfonic acid

172

172
Name:	2-AMINO-5-HYDROXY-BENZIMIDAZOLE
Formula:	C7 H7 N3 O
SMILES:	Oc2ccc1c(nc(n1)N)c2
InChi:	InChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,11H,(H3,8,9,10)
Definition date:	2000-09-26
Last modified:	2011-06-04
Identifier:	2-amino-1H-benzimidazol-5-ol

35C

35C
Name:	3,5-dichlorobenzene-1,2-diol
Formula:	C6 H4 Cl2 O2
SMILES:	Clc1cc(Cl)cc(O)c1O
InChi:	InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
Definition date:	2009-07-09
Last modified:	2011-06-04
Identifier:	3,5-dichlorobenzene-1,2-diol

174

174
Name:	4-CHLORO-BENZOIC ACID
Formula:	C7 H5 Cl O2
SMILES:	O=C(O)c1ccc(Cl)cc1
InChi:	InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
Definition date:	2004-05-07
Last modified:	2011-06-04
Identifier:	4-chlorobenzoic acid

35F

35F
Name:	N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide
Formula:	C20 H14 N6 O2
SMILES:	O=C(Nc4cc(c3nnc2ccc(c1ncnn1)cc23)ccc4)c5occc5
InChi:	InChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26)
Definition date:	2008-08-25
Last modified:	2011-06-04
Identifier:	N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide

176

176
Name:	1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE
Formula:	C27 H27 Cl2 N3 O2
SMILES:	O=C(NCc1cc(Cl)ccc1Cl)C4N(C(=O)C(N)C(c2ccccc2)c3ccccc3)CCC4
InChi:	InChI=1S/C27H27Cl2N3O2/c28-21-13-14-22(29)20(16-21)17-31-26(33)23-12-7-15-32(23)27(34)25(30)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16,23-25H,7,12,15,17,30H2,(H,31,33)/t23-,25+/m0/s1
Definition date:	2004-05-25
Last modified:	2011-06-04
Identifier:	beta-phenyl-D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide

35G

35G
Name:	GUANOSINE-3',5'-MONOPHOSPHATE
Formula:	C10 H12 N5 O7 P
SMILES:	O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N
InChi:	InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-amino-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one

179

179
Name:	N-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
Formula:	C18 H20 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc3cc2ccccc2cc3
InChi:	InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)18(27-12)20-17(26)16(25)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,18,21-24H,8H2,(H,19,25)(H,20,26)/t12-,13-,14+,15-,18-/m1/s1
Definition date:	2008-04-22
Last modified:	2011-06-04
Identifier:	N-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine

17A

17A
Name:	(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
Formula:	C26 H31 N2 O6 P S
SMILES:	O=S(=O)(c2ccc(c1ccccc1)cc2)NC(C(C)C)P(=O)(O)CC(c3cccc(c3)CN)C(=O)O
InChi:	InChI=1S/C26H31N2O6PS/c1-18(2)25(35(31,32)17-24(26(29)30)22-10-6-7-19(15-22)16-27)28-36(33,34)23-13-11-21(12-14-23)20-8-4-3-5-9-20/h3-15,18,24-25,28H,16-17,27H2,1-2H3,(H,29,30)(H,31,32)/t24-,25+/m0/s1
Definition date:	2007-04-26
Last modified:	2011-06-04
Identifier:	(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-{(1R)-1-[(biphenyl-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid

LAD

LAD
Name:	ADENOSINE-5'-[LYSYL-PHOSPHATE]
Formula:	C16 H26 N7 O8 P
SMILES:	O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CCCCN
InChi:	InChI=1S/C16H26N7O8P/c17-4-2-1-3-8(18)16(26)31-32(27,28)29-5-9-11(24)12(25)15(30-9)23-7-22-10-13(19)20-6-21-14(10)23/h6-9,11-12,15,24-25H,1-5,17-18H2,(H,27,28)(H2,19,20,21)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2000-05-11
Last modified:	2011-06-04
Identifier:	5'-O-[(R)-{[(2S)-2,6-diaminohexanoyl]oxy}(hydroxy)phosphoryl]adenosine

LAF

LAF
Name:	5-FLUOROLEVULINIC ACID
Formula:	C5 H7 F O3
SMILES:	FCC(=O)CCC(=O)O
InChi:	InChI=1S/C5H7FO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)
Definition date:	2002-05-21
Last modified:	2011-06-04
Identifier:	5-fluoro-4-oxopentanoic acid

361

361
Name:	(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine
Formula:	C16 H13 F3 N4
SMILES:	Fc1cc(c(F)cc1F)C4Cc3nc2cnccc2n3CC4N
InChi:	InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1
Definition date:	2009-05-05
Last modified:	2011-06-04
Identifier:	(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine

367

367
Name:	3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE
Formula:	C21 H21 N3 O5 S
SMILES:	O=S(=O)(OCCCO)c1cc(ccc1)C(=O)Nc3c2cc(C(=[N@H])N)ccc2ccc3
InChi:	InChI=1S/C21H21N3O5S/c22-20(23)15-9-8-14-4-2-7-19(18(14)13-15)24-21(26)16-5-1-6-17(12-16)30(27,28)29-11-3-10-25/h1-2,4-9,12-13,25H,3,10-11H2,(H3,22,23)(H,24,26)
Definition date:	2005-06-21
Last modified:	2011-06-04
Identifier:	3-hydroxypropyl 3-[(7-carbamimidoylnaphthalen-1-yl)carbamoyl]benzenesulfonate

368

368
Name:	(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
Formula:	C18 H21 B N4 O5
SMILES:	O=C(OC(c1ccc(cc1)B2OCC(O2)CO)CNC(=[N@H])N)c3cccnc3
InChi:	InChI=1S/C18H21BN4O5/c20-18(21)23-9-16(27-17(25)13-2-1-7-22-8-13)12-3-5-14(6-4-12)19-26-11-15(10-24)28-19/h1-8,15-16,24H,9-11H2,(H4,20,21,23)/t15-,16+/m1/s1
Definition date:	2005-05-20
Last modified:	2011-06-04
Identifier:	(1R)-2-carbamimidamido-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl pyridine-3-carboxylate

369

369
Name:	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol
Formula:	C23 H18 O4
SMILES:	O(c2c(c1cccc(O)c1)c(cc3c2ccc(O)c3)C)c4ccc(O)cc4
InChi:	InChI=1S/C23H18O4/c1-14-11-16-13-19(26)7-10-21(16)23(27-20-8-5-17(24)6-9-20)22(14)15-3-2-4-18(25)12-15/h2-13,24-26H,1H3
Definition date:	2008-07-21
Last modified:	2011-06-04
Identifier:	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol

36A

36A
Name:	(S)-2-amino-4-(((2S,3S,4R,5R)-5-(6-(3-chlorobenzylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid
Formula:	C21 H25 Cl N6 O5 S
SMILES:	O=C(O)C(N)CCSCC4OC(n2cnc1c(ncnc12)NCc3cccc(Cl)c3)C(O)C4O
InChi:	InChI=1S/C21H25ClN6O5S/c22-12-3-1-2-11(6-12)7-24-18-15-19(26-9-25-18)28(10-27-15)20-17(30)16(29)14(33-20)8-34-5-4-13(23)21(31)32/h1-3,6,9-10,13-14,16-17,20,29-30H,4-5,7-8,23H2,(H,31,32)(H,24,25,26)/t13-,14+,16+,17+,20+/m0/s1
Definition date:	2010-11-01
Last modified:	2011-06-04
Identifier:	(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-{6-[(3-chlorobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

181

181
Name:	1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE
Formula:	C13 H14 N2 O4 S
SMILES:	O=C2C(Sc1ccccc1)=CN(C(=O)N2)COCCO
InChi:	InChI=1S/C13H14N2O4S/c16-6-7-19-9-15-8-11(12(17)14-13(15)18)20-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,14,17,18)
Definition date:	2004-08-09
Last modified:	2011-06-04
Identifier:	1-[(2-hydroxyethoxy)methyl]-5-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione

182

182
Name:	1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLSELANYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Formula:	C13 H14 N2 O4 Se
SMILES:	O=C2C([Se]c1ccccc1)=CN(C(=O)N2)COCCO
InChi:	InChI=1S/C13H14N2O4Se/c16-6-7-19-9-15-8-11(12(17)14-13(15)18)20-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,14,17,18)
Definition date:	2004-08-09
Last modified:	2011-06-04
Identifier:	1-[(2-hydroxyethoxy)methyl]-5-(phenylselanyl)pyrimidine-2,4(1H,3H)-dione

183

183
Name:	1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Formula:	C21 H22 N2 O5
SMILES:	O=C1C(=CN(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3
InChi:	InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)
Definition date:	2004-08-10
Last modified:	2011-06-04
Identifier:	5-[3-(benzyloxy)benzyl]-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione

187

187
Name:	1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
Formula:	C25 H17 F4 N7 O
SMILES:	FC(F)(F)c2nn(c1cc(C(=[N@H])N)ccc1)c(c2)C(=O)Nc3ccc(cc3F)n4c5ccccc5nc4
InChi:	InChI=1S/C25H17F4N7O/c26-17-11-15(35-13-32-19-6-1-2-7-20(19)35)8-9-18(17)33-24(37)21-12-22(25(27,28)29)34-36(21)16-5-3-4-14(10-16)23(30)31/h1-13H,(H3,30,31)(H,33,37)
Definition date:	2004-09-09
Last modified:	2011-06-04
Identifier:	N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-1-(3-carbamimidoylphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

189

189
Name:	N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE
Formula:	C33 H43 N3 O4 S
SMILES:	O=S(=O)(N(CC1C(CNC1)CN(C(=O)COc2c(cccc2C)C)Cc3ccccc3)CC(C)C)c4ccccc4
InChi:	InChI=1S/C33H43N3O4S/c1-25(2)20-36(41(38,39)31-16-9-6-10-17-31)23-30-19-34-18-29(30)22-35(21-28-14-7-5-8-15-28)32(37)24-40-33-26(3)12-11-13-27(33)4/h5-17,25,29-30,34H,18-24H2,1-4H3/t29-,30-/m1/s1
Definition date:	2004-10-13
Last modified:	2011-06-04
Identifier:	N-benzyl-2-(2,6-dimethylphenoxy)-N-{[(3R,4R)-4-{[(2-methylpropyl)(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl]methyl}acetamide

B70

B70
Name:	tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
Formula:	C16 H16 K3 O6 P S
SMILES:	[K]OP(=O)(O[K])C(CCCc1ccc(cc1)c2ccccc2)S(=O)(=O)O[K]
InChi:	InChI=1S/C16H19O6PS.3K/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14
Definition date:	2007-11-15
Last modified:	2011-06-04
Identifier:	tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate

B76

B76
Name:	[1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
Formula:	C20 H20 O8 P2
SMILES:	O=P(O)(O)C(O)(COc1cc(ccc1)c3cccc(c2ccccc2)c3)P(=O)(O)O
InChi:	InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)
Definition date:	2007-01-31
Last modified:	2011-06-04
Identifier:	[1-hydroxy-2-(1,1':3',1''-terphenyl-3-yloxy)ethane-1,1-diyl]bis(phosphonic acid)

B77

B77
Name:	2-[(2-methoxy-5-methylphenoxy)methyl]pyridine
Formula:	C14 H15 N O2
SMILES:	O(c1cc(ccc1OC)C)Cc2ncccc2
InChi:	InChI=1S/C14H15NO2/c1-11-6-7-13(16-2)14(9-11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3
Definition date:	2009-07-21
Last modified:	2011-06-04
Identifier:	2-[(2-methoxy-5-methylphenoxy)methyl]pyridine

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