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PDB Info pages Status search Chemie search: 35338 results BIRD

BHR

BHR
Name:	2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid
Formula:	C20 H24 N2 O7
SMILES:	O=C(O)CN(Cc1cccc(O)c1O)CCN(Cc2ccccc2O)CC(=O)O
InChi:	InChI=1S/C20H24N2O7/c23-16-6-2-1-4-14(16)10-21(12-18(25)26)8-9-22(13-19(27)28)11-15-5-3-7-17(24)20(15)29/h1-7,23-24,29H,8-13H2,(H,25,26)(H,27,28)
Definition date:	2010-05-26
Last modified:	2011-06-04
Identifier:	[{2-[(carboxymethyl)(2,3-dihydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino]acetic acid (non-preferred name)

BHS

BHS
Name:	6S-5,6,7,8-TETRAHYDROBIOPTERIN
Formula:	C9 H15 N5 O3
SMILES:	O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C
InChi:	InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4-,6-/m1/s1
Definition date:	1999-12-16
Last modified:	2011-06-04
Identifier:	(6R)-2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one

BHX

BHX
Name:	(2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid
Formula:	C9 H15 O8 P
SMILES:	O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(=O)O
InChi:	InChI=1S/C9H15O8P/c10-7(11)2-1-6(9(14)15)5-18(16,17)4-3-8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t6-/m1/s1
Definition date:	2007-11-30
Last modified:	2011-06-04
Identifier:	(2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid

BHZ

BHZ
Name:	2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
Formula:	C20 H24 N2 O5
SMILES:	O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2)CC(=O)O
InChi:	InChI=1S/C20H24N2O5/c23-18-9-5-4-8-17(18)13-22(15-20(26)27)11-10-21(14-19(24)25)12-16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,25)(H,26,27)
Definition date:	2010-05-20
Last modified:	2011-06-04
Identifier:	[{2-[benzyl(carboxymethyl)amino]ethyl}(2-hydroxybenzyl)amino]acetic acid (non-preferred name)

BI4

BI4
Name:	3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE
Formula:	C27 H26 N4 O2
SMILES:	O=C3C(c2c1ccccc1nc2)=C(C(=O)N3)c4c6ccccc6n(c4)CCC5N(C)CCC5
InChi:	InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33)/t17-/m0/s1
Definition date:	2004-04-26
Last modified:	2011-06-04
Identifier:	3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione

BI5

BI5
Name:	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE
Formula:	C19 H16 N2 O2
SMILES:	O=C(NCc1ncccc1)c3ccc(Oc2ccccc2)cc3
InChi:	InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)
Definition date:	2005-06-14
Last modified:	2011-06-04
Identifier:	4-phenoxy-N-(pyridin-2-ylmethyl)benzamide

BI6

BI6
Name:	(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE
Formula:	C29 H34 N4 O3
SMILES:	O=C(NC1C=CCCC4N(C1=O)C(C(=O)NC(c2ccccc2)c3ccccc3)CC4)C(/N=C)CC
InChi:	InChI=1S/C29H34N4O3/c1-3-23(30-2)27(34)31-24-17-11-10-16-22-18-19-25(33(22)29(24)36)28(35)32-26(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,11-15,17,22-26H,2-3,10,16,18-19H2,1H3,(H,31,34)(H,32,35)/t22-,23-,24-,25-/m0/s1
Definition date:	2008-08-21
Last modified:	2011-06-04
Identifier:	(3S,6S,7Z,10aS)-N-(diphenylmethyl)-6-{[(2S)-2-(methylideneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide

LMS

LMS
Name:	[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE
Formula:	C10 H14 N6 O6 S
SMILES:	O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N
InChi:	InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	2002-09-11
Last modified:	2011-06-04
Identifier:	5'-O-sulfamoyladenosine

LMT

LMT
Name:	DODECYL-BETA-D-MALTOSIDE
Formula:	C24 H46 O11
SMILES:	O(CCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:	InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1
Definition date:	1999-08-25
Last modified:	2011-06-04
Identifier:	dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside

BIC

BIC
Name:	3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
Formula:	C15 H19 N3 O2
SMILES:	O=CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3
InChi:	InChI=1S/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde

LMU

LMU
Name:	DODECYL-ALPHA-D-MALTOSIDE
Formula:	C24 H46 O11
SMILES:	O(CCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:	InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24-/m1/s1
Definition date:	2000-05-05
Last modified:	2011-06-04
Identifier:	dodecyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside

BIP

BIP
Name:	2-BENZYL-3-IODOPROPANOIC ACID
Formula:	C10 H11 I O2
SMILES:	O=C(O)C(CI)Cc1ccccc1
InChi:	InChI=1S/C10H11IO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R)-2-benzyl-3-iodopropanoic acid

BIQ

BIQ
Name:	BENZYL [12-(2-AMINO-2-OXOETHYL)-4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-1(19),3(22),4,6,17,20-HEXAEN-9-YL]CARBAMATE
Formula:	C33 H36 N6 O9
SMILES:	[O-][N+](=O)c4ccc3cc4Oc1ccc(cc1)CC(C(=O)NCCC)NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)C3)CC(=O)N
InChi:	InChI=1S/C33H36N6O9/c1-2-14-35-30(41)24-15-20-8-11-23(12-9-20)48-28-17-22(10-13-27(28)39(45)46)16-25(31(42)37-26(18-29(34)40)32(43)36-24)38-33(44)47-19-21-6-4-3-5-7-21/h3-13,17,24-26H,2,14-16,18-19H2,1H3,(H2,34,40)(H,35,41)(H,36,43)(H,37,42)(H,38,44)/t24-,25-,26-/m0/s1
Definition date:	2006-04-25
Last modified:	2011-06-04
Identifier:	benzyl [(9S,12S,15S)-12-(2-amino-2-oxoethyl)-4-nitro-10,13-dioxo-15-(propylcarbamoyl)-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbamate

BIS

BIS
Name:	1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER
Formula:	C15 H22 F4 N5 O12 P3
SMILES:	FC(F)(P(=O)(O)O)CCCC(F)(F)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C15H22F4N5O12P3/c16-14(17,37(27,28)29)2-1-3-15(18,19)38(30,31)36-39(32,33)34-4-7-9(25)10(26)13(35-7)24-6-23-8-11(20)21-5-22-12(8)24/h5-7,9-10,13,25-26H,1-4H2,(H,30,31)(H,32,33)(H2,20,21,22)(H2,27,28,29)/t7-,9-,10-,13-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5'-O-[(R)-hydroxy{[(R)-hydroxy(1,1,5,5-tetrafluoro-5-phosphonopentyl)phosphoryl]oxy}phosphoryl]adenosine

BIX

BIX
Name:	(2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid
Formula:	C10 H18 N O8 P
SMILES:	O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(C(=O)O)N
InChi:	InChI=1S/C10H18NO8P/c11-7(10(16)17)3-4-20(18,19)5-6(9(14)15)1-2-8(12)13/h6-7H,1-5,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7+/m1/s1
Definition date:	2007-11-30
Last modified:	2011-06-04
Identifier:	(2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid

BIY

BIY
Name:	(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid
Formula:	C8 H11 N O4 S
SMILES:	O=C(O)C=1SC(C)(C)C(C(=O)O)NC=1
InChi:	InChI=1S/C8H11NO4S/c1-8(2)5(7(12)13)9-3-4(14-8)6(10)11/h3,5,9H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1
Definition date:	2009-06-04
Last modified:	2011-06-04
Identifier:	(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid

BJH

BJH
Name:	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
Formula:	C11 H14 B N O6
SMILES:	O=C(O)c1cccc(c1O)CC(B(O)O)NC(=O)C
InChi:	InChI=1S/C11H14BNO6/c1-6(14)13-9(12(18)19)5-7-3-2-4-8(10(7)15)11(16)17/h2-4,9,15,18-19H,5H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
Definition date:	2000-04-20
Last modified:	2011-06-04
Identifier:	3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]-2-hydroxybenzoic acid

BJI

BJI
Name:	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Formula:	C11 H14 B N O5
SMILES:	O=C(O)c1cc(ccc1)CC(NC(=O)C)B(O)O
InChi:	InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
Definition date:	2000-04-17
Last modified:	2011-06-04
Identifier:	3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]benzoic acid

LO1

LO1
Name:	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,
Formula:	C9 H10 N2 O3
SMILES:	O=C(Nc1ccc(cc1)CN)C(=O)O
InChi:	InChI=1S/C9H10N2O3/c10-5-6-1-3-7(4-2-6)11-8(12)9(13)14/h1-4H,5,10H2,(H,11,12)(H,13,14)
Definition date:	2004-10-28
Last modified:	2011-06-04
Identifier:	{[4-(aminomethyl)phenyl]amino}(oxo)acetic acid

BJP

BJP
Name:	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Formula:	C17 H18 B N O5
SMILES:	O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccccc2)B(O)O
InChi:	InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1
Definition date:	2000-04-19
Last modified:	2011-06-04
Identifier:	3-{(2R)-2-(dihydroxyboranyl)-2-[(phenylacetyl)amino]ethyl}benzoic acid

LOI

LOI
Name:	2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide
Formula:	C15 H16 N6 O S2
SMILES:	O=C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3NC
InChi:	InChI=1S/C15H16N6OS2/c1-9-7-23-14(18-9)19-13(22)11-6-10(4-5-12(11)16-2)24-15-20-17-8-21(15)3/h4-8,16H,1-3H3,(H,18,19,22)
Definition date:	2009-03-23
Last modified:	2011-06-04
Identifier:	2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide

BK3

BK3
Name:	3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C22 H24 N6
SMILES:	n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)CC5CCNCC5)N
InChi:	InChI=1S/C22H24N6/c23-21-20-19(12-17-6-3-5-16-4-1-2-7-18(16)17)27-28(22(20)26-14-25-21)13-15-8-10-24-11-9-15/h1-7,14-15,24H,8-13H2,(H2,23,25,26)
Definition date:	2010-05-10
Last modified:	2011-06-04
Identifier:	3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

LOM

LOM
Name:	THIAZOLE
Formula:	C3 H3 N S
SMILES:	n1ccsc1
InChi:	InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1,3-thiazole

LP5

LP5
Name:	(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE
Formula:	C34 H66 N O12 P
SMILES:	O=P(OC1OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C1NC(=O)CC(O)CCCCCCCCCCC)CO)(O)O
InChi:	InChI=1S/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,31-,32-,33-,34-/m1/s1
Definition date:	2006-12-26
Last modified:	2011-06-04
Identifier:	2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose

LP7

LP7
Name:	ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
Formula:	C11 H12 N2 O5
SMILES:	CCOC(=O)[CH]1[CH](O)c2cccnc2N(O)C1=O
InChi:	InChI=1S/C11H12N2O5/c1-2-18-11(16)7-8(14)6-4-3-5-12-9(6)13(17)10(7)15/h3-5,7-8,14,17H,2H2,1H3/t7-,8-/m0/s1
Definition date:	2010-02-10
Last modified:	2011-06-04
Identifier:	ethyl (3S)-1,4-dihydroxy-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxylate

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