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PDB Info pages Status search Chemie search: 35338 results BIRD

LJH

LJH
Name:	N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)
Formula:	C30 H35 N5 O4 S2
SMILES:	O=S(=O)(c1ccc(N)cc1)N(Cc2ccccc2)CCNCCN(Cc3ccccc3)S(=O)(=O)c4ccc(N)cc4
InChi:	InChI=1S/C30H35N5O4S2/c31-27-11-15-29(16-12-27)40(36,37)34(23-25-7-3-1-4-8-25)21-19-33-20-22-35(24-26-9-5-2-6-10-26)41(38,39)30-17-13-28(32)14-18-30/h1-18,33H,19-24,31-32H2
Definition date:	2007-11-29
Last modified:	2011-06-04
Identifier:	N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)

1GK

1GK
Name:	N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
Formula:	C18 H16 N2 O3
SMILES:	O=C(NCc1occc1)c3cc(C(=O)c2ccccc2C)cn3
InChi:	InChI=1S/C18H16N2O3/c1-12-5-2-3-7-15(12)17(21)13-9-16(19-10-13)18(22)20-11-14-6-4-8-23-14/h2-10,19H,11H2,1H3,(H,20,22)
Definition date:	2010-04-28
Last modified:	2011-06-04
Identifier:	N-(furan-2-ylmethyl)-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide

BFA

BFA
Name:	9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE
Formula:	C17 H17 Br N4 O
SMILES:	O=C(NCCN(C)C)c2c1nc3c(nc1ccc2)cccc3Br
InChi:	InChI=1S/C17H17BrN4O/c1-22(2)10-9-19-17(23)11-5-3-7-13-15(11)21-16-12(18)6-4-8-14(16)20-13/h3-8H,9-10H2,1-2H3,(H,19,23)
Definition date:	2000-02-22
Last modified:	2011-06-04
Identifier:	9-bromo-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide

1GW

1GW
Name:	5-(2-FORMYLTHIEN-5-YL)-URIDINE-5'-DIPHOSPHATE-ALPHA-D-GALACTOSE
Formula:	C20 H26 N2 O18 P2 S
SMILES:	O=Cc4sc(C=1C(=O)NC(=O)N(C=1)C3OC(COP(=O)(O)OP(=O)(OC2OC(CO)C(O)C(O)C2O)O)C(O)C3O)cc4
InChi:	InChI=1S/C20H26N2O18P2S/c23-4-7-1-2-11(43-7)8-3-22(20(31)21-17(8)30)18-15(28)13(26)10(37-18)6-36-41(32,33)40-42(34,35)39-19-16(29)14(27)12(25)9(5-24)38-19/h1-4,9-10,12-16,18-19,24-29H,5-6H2,(H,32,33)(H,34,35)(H,21,30,31)/t9-,10-,12+,13-,14+,15-,16-,18-,19-/m1/s1
Definition date:	2009-08-17
Last modified:	2011-06-04
Identifier:	{(2R,3S,4R,5R)-5-[5-(5-formylthiophen-2-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

LJZ

LJZ
Name:	4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]
Formula:	C28 H24 Cl2 N6 O4
SMILES:	Clc1ccccc1NC(=O)CCC(=O)/N=N/C=C3C=C/C(=CN=NC(=O)CCC(=O)Nc2ccccc2Cl)C=C3
InChi:	InChI=1S/C28H24Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)/b19-17-,20-18-,35-31+,36-32+
Definition date:	2010-04-21
Last modified:	2011-06-04
Identifier:	4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]

BFG

BFG
Name:	3,3-diphenyl-N-(2-sulfanylethyl)propanamide
Formula:	C17 H19 N O S
SMILES:	O=C(NCCS)CC(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C17H19NOS/c19-17(18-11-12-20)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,18,19)
Definition date:	2010-03-15
Last modified:	2011-06-04
Identifier:	3,3-diphenyl-N-(2-sulfanylethyl)propanamide

BFH

BFH
Name:	1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
Formula:	C15 H11 N O4
SMILES:	O=C(O)c3cc2c(c1ccccc1cc2)n3CC(=O)O
InChi:	InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)
Definition date:	2010-05-26
Last modified:	2011-06-04
Identifier:	1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid

BFL

BFL
Name:	2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID
Formula:	C15 H14 O2
SMILES:	O=C(O)C(c2ccc(c1ccccc1)cc2)C
InChi:	InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1
Definition date:	2003-08-18
Last modified:	2011-06-04
Identifier:	(2S)-2-biphenyl-4-ylpropanoic acid

LK4

LK4
Name:	N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID
Formula:	C23 H20 N2 O7 S
SMILES:	O=C(O)C(NS(=O)(=O)c1ccc3c(c1)ccc(OCc2ccc(C#N)cc2)c3)CCC(=O)O
InChi:	InChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-18-12-20(8-6-17(18)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1
Definition date:	2007-03-06
Last modified:	2011-06-04
Identifier:	N-({6-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid

LKC

LKC
Name:	4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE
Formula:	C11 H15 N3 O5
SMILES:	O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)CO)C
InChi:	InChI=1S/C11H15N3O5/c1-5-2-14(10(17)13-8(5)12)9-6-7(16)11(3-15,19-9)4-18-6/h2,6-7,9,15-16H,3-4H2,1H3,(H2,12,13,17)/t6-,7+,9-,11+/m1/s1
Definition date:	2002-06-27
Last modified:	2011-06-04
Identifier:	4-amino-1-[2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranosyl]-5-methylpyrimidin-2(1H)-one

BFX

BFX
Name:	4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
Formula:	C31 H31 Br Cl F N2 O2
SMILES:	Clc1ccccc1CN(C(=O)C4=C(c2ccc(cc2)CCCOc3cc(F)ccc3Br)CCNC4)C5CC5
InChi:	InChI=1S/C31H31BrClFN2O2/c32-28-14-11-24(34)18-30(28)38-17-3-4-21-7-9-22(10-8-21)26-15-16-35-19-27(26)31(37)36(25-12-13-25)20-23-5-1-2-6-29(23)33/h1-2,5-11,14,18,25,35H,3-4,12-13,15-17,19-20H2
Definition date:	2009-10-08
Last modified:	2011-06-04
Identifier:	4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide

LKG

LKG
Name:	4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
Formula:	C18 H14 N4 O
SMILES:	n1c(ccc2nnc(n12)Cc3ccc(O)cc3)c4ccccc4
InChi:	InChI=1S/C18H14N4O/c23-15-8-6-13(7-9-15)12-18-20-19-17-11-10-16(21-22(17)18)14-4-2-1-3-5-14/h1-11,23H,12H2
Definition date:	2008-03-02
Last modified:	2011-06-04
Identifier:	4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol

LKJ

LKJ
Name:	(2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid
Formula:	C53 H60 N8 O6
SMILES:	O=C(O)C(NC(=O)c3nc(C(=O)N2C(Cn1cccc1)CCC2)cc(c3)c6cc(nc(C(=O)NCc5cccc(c4ccccc4)c5)c6)C(=O)N7CCCC7CN8CCCC8)C9CCCCC9
InChi:	InChI=1S/C53H60N8O6/c62-49(54-33-36-14-11-19-39(28-36)37-15-3-1-4-16-37)44-29-40(31-46(55-44)51(64)60-26-12-20-42(60)34-58-22-7-8-23-58)41-30-45(50(63)57-48(53(66)67)38-17-5-2-6-18-38)56-47(32-41)52(65)61-27-13-21-43(61)35-59-24-9-10-25-59/h1,3-4,9-11,14-16,19,24-25,28-32,38,42-43,48H,2,5-8,12-13,17-18,20-23,26-27,33-35H2,(H,54,62)(H,57,63)(H,66,67)/t42-,43-,48-/m1/s1
Definition date:	2010-04-21
Last modified:	2011-06-04
Identifier:	(2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid

LKM

LKM
Name:	N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID
Formula:	C23 H19 F N2 O7 S
SMILES:	O=C(O)C(NS(=O)(=O)c1ccc3c(c1)ccc(OCc2ccc(C#N)cc2F)c3)CCC(=O)O
InChi:	InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1
Definition date:	2008-05-14
Last modified:	2011-06-04
Identifier:	N-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid

BGF

BGF
Name:	2,5-BIS(4-GUANYLPHENYL)FURAN
Formula:	C18 H18 N4 O
SMILES:	o1c(ccc1c2ccc(C(=[NH2+])N)cc2)c3ccc(C(=[NH2+])N)cc3
InChi:	InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)/p+2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(furan-2,5-diyldibenzene-4,1-diyl)bis(aminomethaniminium)

LL1

LL1
Name:	3-pyridin-4-yl-1H-indazole
Formula:	C12 H9 N3
SMILES:	n2c(c1ccccc1n2)c3ccncc3
InChi:	InChI=1S/C12H9N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h1-8H,(H,14,15)
Definition date:	2008-07-04
Last modified:	2011-06-04
Identifier:	3-pyridin-4-yl-1H-indazole

BH0

BH0
Name:	3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE
Formula:	C32 H30 N4 O6 S
SMILES:	O=S(=O)(c1cccc(C#N)c1)N2N(C(=O)N(C(C(O)C2)Cc3ccccc3)Cc4ccc(O)cc4)Cc5ccc(O)cc5
InChi:	InChI=1S/C32H30N4O6S/c33-19-26-7-4-8-29(17-26)43(41,42)36-22-31(39)30(18-23-5-2-1-3-6-23)34(20-24-9-13-27(37)14-10-24)32(40)35(36)21-25-11-15-28(38)16-12-25/h1-17,30-31,37-39H,18,20-22H2/t30-,31-/m1/s1
Definition date:	2004-05-11
Last modified:	2011-06-04
Identifier:	3-{[(5R,6R)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitrile

LLG

LLG
Name:	2-aminoethyl naphthalen-1-ylacetate
Formula:	C14 H15 N O2
SMILES:	O=C(OCCN)Cc2cccc1ccccc12
InChi:	InChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2
Definition date:	2007-11-26
Last modified:	2011-06-04
Identifier:	2-aminoethyl naphthalen-1-ylacetate

LLH

LLH
Name:	(2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID
Formula:	C5 H9 N O7
SMILES:	O=C(O)C(O)C(O)C(O)C(=O)NO
InChi:	InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m0/s1
Definition date:	2007-05-01
Last modified:	2011-06-04
Identifier:	(2R,3S,4R)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid (non-preferred name)

BHA

BHA
Name:	2-HYDROXY-4-AMINOBENZOIC ACID
Formula:	C7 H7 N O3
SMILES:	O=C(O)c1ccc(cc1O)N
InChi:	InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-amino-2-hydroxybenzoic acid

BHB

BHB
Name:	2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-3H-QUINAZOLIN-4-ONE
Formula:	C13 H19 N5 O S
SMILES:	O=C1c2c(N=C(N1)N)c(cc(N)c2)CSCCN(C)C
InChi:	InChI=1S/C13H19N5OS/c1-18(2)3-4-20-7-8-5-9(14)6-10-11(8)16-13(15)17-12(10)19/h5-6H,3-4,7,14H2,1-2H3,(H3,15,16,17,19)
Definition date:	2003-08-15
Last modified:	2011-06-04
Identifier:	2,6-diamino-8-({[2-(dimethylamino)ethyl]sulfanyl}methyl)quinazolin-4(3H)-one

LLX

LLX
Name:	N-(4-aminobiphenyl-3-yl)benzamide
Formula:	C19 H16 N2 O
SMILES:	O=C(Nc1cc(ccc1N)c2ccccc2)c3ccccc3
InChi:	InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
Definition date:	2010-04-06
Last modified:	2011-06-04
Identifier:	N-(4-aminobiphenyl-3-yl)benzamide

BHK

BHK
Name:	(2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid
Formula:	C12 H14 O4
SMILES:	O=C(CO)CC(C(=O)O)Cc1ccccc1
InChi:	InChI=1S/C12H14O4/c13-8-11(14)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,15,16)/t10-/m1/s1
Definition date:	2009-01-22
Last modified:	2011-06-04
Identifier:	(2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid

BHO

BHO
Name:	BENZHYDROXAMIC ACID
Formula:	C7 H7 N O2
SMILES:	O=C(NO)c1ccccc1
InChi:	InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-hydroxybenzamide

BHP

BHP
Name:	(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
Formula:	C31 H37 N O4
SMILES:	O=C(O)CCC(NC(=O)CCCCCCc1ccccc1)Cc3ccc(OCc2ccccc2)cc3
InChi:	InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
Definition date:	2002-12-06
Last modified:	2011-06-04
Identifier:	(4S)-5-[4-(benzyloxy)phenyl]-4-[(7-phenylheptanoyl)amino]pentanoic acid

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