Chemie Search results for query - Protein Data Bank Japan

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 7222 results BIRD

ZAF

ZAF
Name:	O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID
Formula:	C22 H27 N2 O8 P
SMILES:	O=C(O)C(OP(=O)(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)C)Cc2ccccc2
InChi:	InChI=1S/C22H27N2O8P/c1-15(23-22(28)31-14-18-11-7-4-8-12-18)20(25)24-16(2)33(29,30)32-19(21(26)27)13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)(H,29,30)/t15-,16+,19-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-2-{[(R)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-alanyl}amino)ethyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid

X8Z

X8Z
Name:	L-CAPTOPRIL
Formula:	C9 H15 N O3 S
SMILES:	O=C(O)C1N(C(=O)C(C)CS)CCC1
InChi:	InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
Definition date:	2010-03-14
Last modified:	2011-06-04
Identifier:	1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline

S3B

S3B
Name:	3-methyl-2-(propanoyloxy)benzoic acid
Formula:	C11 H12 O4
SMILES:	O=C(Oc1c(cccc1C)C(=O)O)CC
InChi:	InChI=1S/C11H12O4/c1-3-9(12)15-10-7(2)5-4-6-8(10)11(13)14/h4-6H,3H2,1-2H3,(H,13,14)
Definition date:	2008-11-25
Last modified:	2011-06-04
Identifier:	3-methyl-2-(propanoyloxy)benzoic acid

HEC

HEC
Name:	HEME C
Formula:	C34 H34 Fe N4 O4
SMILES:	O=C(O)CCC1=C(C2=CC6=C(C(=C/C)C5=CC4=C(C(C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
InChi:	InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron

X92

X92
Name:	RAMIPRILAT
Formula:	C21 H28 N2 O5
SMILES:	O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCC12)C)CCc3ccccc3
InChi:	InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16+,17-,18-/m0/s1
Definition date:	2010-03-14
Last modified:	2011-06-04
Identifier:	(2S,3aS,6aS)-1-[(2S)-2-{[(1R)-1-carboxy-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name)

YPA

YPA
Name:	(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY-PROPIONIC ACID
Formula:	C25 H25 N O4
SMILES:	O=C(O)C(OCC)Cc4ccc(OCCn3c1ccccc1c2c3cccc2)cc4
InChi:	InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
Definition date:	2001-12-27
Last modified:	2011-06-04
Identifier:	(2S)-3-{4-[2-(9H-carbazol-9-yl)ethoxy]phenyl}-2-ethoxypropanoic acid

XAA

XAA
Name:	(1S,2S)-1-AMINO-1-(1,3-THIAZOL-2-YL)PROPAN-2-OL
Formula:	C6 H10 N2 O S
SMILES:	OC(C(N)c1nccs1)C
InChi:	InChI=1S/C6H10N2OS/c1-4(9)5(7)6-8-2-3-10-6/h2-5,9H,7H2,1H3/t4-,5+/m1/s1
Definition date:	2000-11-02
Last modified:	2011-06-04
Identifier:	(1S,2R)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol

HFM

HFM
Name:	2-FORMYL-PROTOPORPHRYN IX
Formula:	C33 H32 Fe N4 O5
SMILES:	O=C(O)CCC1=C(C2=CC4=C(C(C3=CC5=C(C)C(C=C)C6=Cc8c(c(c7C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=CO)C)C
InChi:	InChI=1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26
Definition date:	2003-09-23
Last modified:	2011-06-04
Identifier:	{3,3'-[(7R,12Z)-7-ethenyl-12-(hydroxymethylidene)-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron

XAP

XAP
Name:	3-AMINOOXY-1-AMINOPROPANE
Formula:	C3 H10 N2 O
SMILES:	O(N)CCCN
InChi:	InChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2
Definition date:	2007-01-25
Last modified:	2011-06-04
Identifier:	3-(aminooxy)propan-1-amine

HFV

HFV
Name:	DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
Formula:	C14 H19 F6 N3 O6 S
SMILES:	O=C(NC(C(=O)O)C(C(F)(F)F)C(F)(F)F)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:	InChI=1S/C14H19F6N3O6S/c15-13(16,17)9(14(18,19)20)8(12(28)29)23-10(25)6(4-30)22-7(24)3-1-2-5(21)11(26)27/h5-6,8-9,30H,1-4,21H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t5-,6-,8-/m0/s1
Definition date:	2005-06-09
Last modified:	2011-06-04
Identifier:	N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-4,4,4,4',4',4'-hexafluoro-L-valine

VG3

VG3
Name:	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
Formula:	C31 H45 N3 O5 S
SMILES:	O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cccc(c2)S(=O)(=O)CCCCC)Cc3ccccc3)C
InChi:	InChI=1S/C31H45N3O5S/c1-3-4-11-19-40(38,39)27-18-12-15-25(21-27)31(37)34-28(20-24-13-7-5-8-14-24)29(35)22-32-23(2)30(36)33-26-16-9-6-10-17-26/h5,7-8,12-15,18,21,23,26,28-29,32,35H,3-4,6,9-11,16-17,19-20,22H2,1-2H3,(H,33,36)(H,34,37)/t23-,28-,29+/m0/s1
Definition date:	2007-12-06
Last modified:	2011-06-04
Identifier:	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide

VG4

VG4
Name:	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide
Formula:	C33 H44 N4 O5
SMILES:	O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cc(OCCC)cc(c2)N3C=CCC3=O)Cc4ccccc4)C
InChi:	InChI=1S/C33H44N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,10-12,16,19-21,23,26,29-30,34,38H,3,5,8-9,13-15,17-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
Definition date:	2007-12-06
Last modified:	2011-06-04
Identifier:	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide

VG5

VG5
Name:	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Formula:	C32 H45 N5 O4
SMILES:	O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cc(cc(c2)N3C(=O)CCC3)NCC)Cc4ccccc4)C
InChi:	InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1
Definition date:	2007-12-06
Last modified:	2011-06-04
Identifier:	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide

YRG

YRG
Name:	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
Formula:	C15 H13 Cl O3
SMILES:	Clc2ccc(OC(C(=O)O)Cc1ccccc1)cc2
InChi:	InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1
Definition date:	2008-02-28
Last modified:	2011-06-04
Identifier:	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid

VGB

VGB
Name:	(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium
Formula:	C19 H26 N3 O4
SMILES:	O=C(NC3c1[n+](cc(n1)CCc2ccccc2)C(C(O)C3O)CO)CC
InChi:	InChI=1S/C19H25N3O4/c1-2-15(24)21-16-18(26)17(25)14(11-23)22-10-13(20-19(16)22)9-8-12-6-4-3-5-7-12/h3-7,10,14,16-18,23,25-26H,2,8-9,11H2,1H3,(H,21,24)/p+1/t14-,16-,17-,18-/m1/s1
Definition date:	2009-02-23
Last modified:	2011-06-04
Identifier:	(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium

UM0

UM0
Name:	(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid
Formula:	C14 H24 N2 O9
SMILES:	O=C(O)C(NC(=O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C
InChi:	InChI=1S/C14H24N2O9/c1-5(13(21)22)15-12(20)6(2)24-11-9(16-7(3)18)14(23)25-8(4-17)10(11)19/h5-6,8-11,14,17,19,23H,4H2,1-3H3,(H,15,20)(H,16,18)(H,21,22)/t5-,6+,8+,9+,10+,11+,14-/m0/s1
Definition date:	2009-03-24
Last modified:	2011-06-04
Identifier:	(2S)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid (non-preferred name)

XBJ

XBJ
Name:	4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL
Formula:	C23 H27 F N4 O4
SMILES:	Fc4cc(c2nc(NC1C(CNC1)C(O)(C)C)c3cc(OC)c(OC)cc3n2)c(O)cc4
InChi:	InChI=1S/C23H27FN4O4/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28)/t15-,17-/m1/s1
Definition date:	2010-04-12
Last modified:	2011-06-04
Identifier:	4-fluoro-2-(4-{[(3S,4R)-4-(1-hydroxy-1-methylethyl)pyrrolidin-3-yl]amino}-6,7-dimethoxyquinazolin-2-yl)phenol

HGS

HGS
Name:	D-gamma-glutamyl-L-cysteinyl-beta-alanine
Formula:	C11 H19 N3 O6 S
SMILES:	N[CH](CCC(=O)N[CH](CS)C(=O)NCCC(O)=O)C(O)=O
InChi:	InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7+/m1/s1
Definition date:	2009-11-17
Last modified:	2011-06-04
Identifier:	(2R)-2-azanyl-5-[[(2R)-1-(2-carboxyethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid

ZX0

ZX0
Name:	(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline
Formula:	C12 H22 N4 O6 S
SMILES:	O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2
InChi:	InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9+,10-/m0/s1
Definition date:	2009-12-03
Last modified:	2011-06-04
Identifier:	(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline

ZX1

ZX1
Name:	(3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE
Formula:	C12 H22 N4 O6 S
SMILES:	O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2
InChi:	InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9-,10+/m1/s1
Definition date:	2009-12-03
Last modified:	2011-06-04
Identifier:	(3R)-1-[(4R)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline

UMA

UMA
Name:	URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
Formula:	C23 H36 N4 O20 P2
SMILES:	O=P(OC1OC(C(O)C(OC(C(=O)NC(C(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid (non-preferred name)

V10

V10
Name:	N^6^-[(1R)-2-[(1R)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine
Formula:	C13 H22 N2 O7 S2
SMILES:	O=C(O)C(OC(=O)C(NC(=O)CCCC(C(=O)O)N)CS)CSC
InChi:	InChI=1S/C13H22N2O7S2/c1-24-6-9(12(19)20)22-13(21)8(5-23)15-10(16)4-2-3-7(14)11(17)18/h7-9,23H,2-6,14H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t7-,8-,9-/m0/s1
Definition date:	2007-09-10
Last modified:	2011-06-04
Identifier:	N~6~-[(1R)-2-[(1R)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine

ZX5

ZX5
Name:	3-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide
Formula:	C18 H25 N3 O4
SMILES:	O=C(NCC1NC(C(O)C(O)C1O)C)CCc3c2ccccc2nc3
InChi:	InChI=1S/C18H25N3O4/c1-10-16(23)18(25)17(24)14(21-10)9-20-15(22)7-6-11-8-19-13-5-3-2-4-12(11)13/h2-5,8,10,14,16-19,21,23-25H,6-7,9H2,1H3,(H,20,22)/t10-,14+,16+,17+,18+/m0/s1
Definition date:	2008-12-22
Last modified:	2011-06-04
Identifier:	3-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide

YAN

YAN
Name:	1,2-DICHLOROBENZENE
Formula:	C6 H4 Cl2
SMILES:	Clc1ccccc1Cl
InChi:	InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
Definition date:	2007-02-12
Last modified:	2011-06-04
Identifier:	1,2-dichlorobenzene

ZXD

ZXD
Name:	(2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol
Formula:	C8 H17 N O3
SMILES:	OC1C(NCC(O)C1O)C(C)C
InChi:	InChI=1S/C8H17NO3/c1-4(2)6-8(12)7(11)5(10)3-9-6/h4-12H,3H2,1-2H3/t5-,6+,7+,8-/m1/s1
Definition date:	2008-12-24
Last modified:	2011-06-04
Identifier:	(2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol

<238 239 240 241 242 243 244245246 247 248 249 250 251 252 253 >

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon