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: 39836 results BIRD

ZEA

ZEA
Name:	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
Formula:	C10 H13 N5 O
SMILES:	n2c1c(ncn1)c(nc2)NCC=C(/C)CO
InChi:	InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
Synonyms:	TRANS-ZEATIN
Definition date:	2004-06-23
Last modified:	2021-03-01
Identifier:	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol

IS3

IS3
Name:	Isopentenyl Diphosphate Beta-S
Formula:	C5 H14 O6 P2 S
SMILES:	O=P(O)(OP(=O)(OCCC(C)C)O)S
InChi:	InChI=1S/C5H14O6P2S/c1-5(2)3-4-10-12(6,7)11-13(8,9)14/h5H,3-4H2,1-2H3,(H,6,7)(H2,8,9,14)
Synonyms:	O-(3-methylbutyl) trihydrogen thiodiphosphate
Definition date:	2009-10-21
Last modified:	2021-03-01
Identifier:	O-(3-methylbutyl) trihydrogen thiodiphosphate

ZEZ

ZEZ
Name:	(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
Formula:	C10 H13 N5 O
SMILES:	n2c1c(ncn1)c(nc2)NC/C=C(/C)CO
InChi:	InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-
Synonyms:	CIS-ZEATIN
Definition date:	2008-03-03
Last modified:	2021-03-01
Identifier:	(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol

ISC

ISC
Name:	(5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
Formula:	C10 H10 O6
SMILES:	O=C(O)C1=CC=CC(O/C(C(=O)O)=C)C1O
InChi:	InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1
Synonyms:	ISOCHORISMIC ACID
Definition date:	2003-01-15
Last modified:	2021-03-01
Identifier:	(5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid

ISW

ISW
Name:	{3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron
Formula:	C34 H34 Fe N4 O4
SMILES:	O=C(O)CCC3=C(C4=Cc1n6c(c(c1C=C)C)CC2N5=C(C(=C2C=C)C)C=C7C(=C(C8=CC3=N4[Fe]56N78)CCC(=O)O)C)C
InChi:	InChI=1S/C34H36N4O4.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
Synonyms:	Isoporphyrin containing Fe
Definition date:	2011-06-02
Last modified:	2021-03-01
Release date:	2013-09-04
Identifier:	{3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron

ISY

ISY
Name:	3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid
Formula:	C5 H12 O6 P2 S
SMILES:	O=P(O)(OP(=O)(O)SCCC(=C)C)O
InChi:	InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
Synonyms:	Isopentyl S-Thiolodiphosphate
Definition date:	2010-11-08
Last modified:	2021-03-01
Identifier:	S-(3-methylbut-3-en-1-yl) trihydrogen thiodiphosphate

ZXY

ZXY
Name:	N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide
Formula:	C32 H30 N2 O11
SMILES:	N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O
InChi:	InChI=1S/C32H30N2O11/c35-19-15-25(40)28-26(16-19)45-30(18-6-8-22(37)24(39)14-18)31(29(28)42)44-12-2-10-33-32(43)20-3-1-11-34(20)27(41)9-5-17-4-7-21(36)23(38)13-17/h4-9,13-16,20,35-40H,1-3,10-12H2,(H,33,43)/b9-5+/t20-/m0/s1
Synonyms:	Montbretin A analogue M06-MbA
Definition date:	2019-03-25
Last modified:	2021-03-01
Release date:	2020-02-12
Identifier:	N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide

ZYA

ZYA
Name:	BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE
Formula:	C21 H23 F N2 O5
SMILES:	FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccc(O)cc2)C
InChi:	InChI=1S/C21H23FN2O5/c1-14(19(26)12-22)23-20(27)18(11-15-7-9-17(25)10-8-15)24-21(28)29-13-16-5-3-2-4-6-16/h2-10,14,18,25H,11-13H2,1H3,(H,23,27)(H,24,28)/t14-,18-/m0/s1
Synonyms:	Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide

ZYC

ZYC
Name:	ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Formula:	C12 H14 O4
SMILES:	O=C(OCC)C=Cc1cc(OC)c(O)cc1
InChi:	InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
Synonyms:	ethyl ferulate
Definition date:	2010-10-29
Last modified:	2021-03-01
Identifier:	ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

ITQ

ITQ
Name:	1,2,3,4-Tetrahydrogen Staurosporine
Formula:	C28 H28 N4 O3
SMILES:	O=C4N=Cc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8
InChi:	InChI=1S/C28H28N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,13,17,20,26,29H,4,6,8,10,12H2,1-3H3/t17-,20-,26-,28+/m1/s1
Synonyms:	Staurosporine Analogue - AFN941
Definition date:	2013-03-14
Last modified:	2021-03-01
Release date:	2013-03-27
Identifier:	(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13-octahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one

ZZ0

ZZ0
Name:	2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID
Formula:	C12 H9 Cl N2 O2
SMILES:	Clc1ccc(cc1)Nc2ncccc2C(=O)O
InChi:	InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)
Synonyms:	2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID
Definition date:	2009-06-30
Last modified:	2021-03-01
Identifier:	2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid

ZZ8

ZZ8
Name:	2-(ACETYLAMINO)BENZOIC ACID
Formula:	C9 H9 N O3
SMILES:	O=C(Nc1ccccc1C(=O)O)C
InChi:	InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
Synonyms:	N-ACETYLANTHRANILATE
Definition date:	2009-05-22
Last modified:	2021-03-01
Identifier:	2-(acetylamino)benzoic acid

W01

W01
Name:	2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL
Formula:	C17 H21 N5 O2
SMILES:	n1n(nnc1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C
InChi:	InChI=1S/C17H21N5O2/c1-11-8-14(17-18-21-22(4)19-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3
Synonyms:	WIN61209
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	5-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-2-methyl-2H-tetrazole

W02

W02
Name:	2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL
Formula:	C17 H21 N5 O2
SMILES:	n1c(nnn1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C
InChi:	InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3
Synonyms:	WIN68934
Definition date:	1999-07-20
Last modified:	2021-03-01
Identifier:	2-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-methyl-2H-tetrazole

ZIO

ZIO
Name:	(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE
Formula:	C35 H61 N O12
SMILES:	O=C4C(C)C(O)C(C)C(OC(=O)C(C(OC1OC(C(O)C(OC)C1)C)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC43OC3)C)C
InChi:	InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35-/m0/s1
Synonyms:	OLEANDOMYCIN
Definition date:	2006-07-13
Last modified:	2021-03-01
Identifier:	(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside

ZIP

ZIP
Name:	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
Formula:	C10 H13 N5
SMILES:	n2c1c(ncn1)c(nc2)NCC=C(/C)C
InChi:	InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
Synonyms:	ISOPENTENYLADENINE
Definition date:	2004-06-23
Last modified:	2021-03-01
Identifier:	N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine

IVF

IVF
Name:	N-(iodoacetyl)-L-valyl-L-phenylalaninamide
Formula:	C16 H22 I N3 O3
SMILES:	ICC(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)C(C)C
InChi:	InChI=1S/C16H22IN3O3/c1-10(2)14(20-13(21)9-17)16(23)19-12(15(18)22)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1
Synonyms:	iodoacetyl-valyl-phenylalanyl-amide
Definition date:	2012-05-07
Last modified:	2021-03-01
Identifier:	N-(iodoacetyl)-L-valyl-L-phenylalaninamide

IVV

IVV
Name:	N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide
Formula:	C24 H46 N3 O7 P
SMILES:	O=P(O)(C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)CC(=O)OCC
InChi:	InChI=1S/C24H46N3O7P/c1-10-34-20(29)13-35(32,33)19(12-15(4)5)26-23(30)22(17(8)9)27-24(31)21(16(6)7)25-18(28)11-14(2)3/h14-17,19,21-22H,10-13H2,1-9H3,(H,25,28)(H,26,30)(H,27,31)(H,32,33)/t19-,21+,22+/m1/s1
Synonyms:	PHOSPHINIC ACID ANALOGUE OF STATIN (IVA)-VAL-VAL-STA(P)-O-ET
Definition date:	2010-10-28
Last modified:	2021-03-01
Identifier:	N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide

IWD

IWD
Name:	2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
Formula:	C7 H8 I N3 O4
SMILES:	O=C(O)C(N)CN1C=C(I)C(=O)NC1=O
InChi:	InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
Synonyms:	IODO-WILLARDIINE
Definition date:	2002-09-18
Last modified:	2021-03-01
Identifier:	3-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine

G1R

G1R
Name:	[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5S)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:	C15 H23 N5 O15 P2
SMILES:	O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC3OC(O)C(O)C3O)N
InChi:	InChI=1S/C15H23N5O15P2/c16-15-18-11-6(12(25)19-15)17-3-20(11)13-9(23)7(21)4(33-13)1-31-36(27,28)35-37(29,30)32-2-5-8(22)10(24)14(26)34-5/h3-5,7-10,13-14,21-24,26H,1-2H2,(H,27,28)(H,29,30)(H3,16,18,19,25)/t4-,5-,7+,8-,9-,10-,13-,14+/m1/s1
Synonyms:	GUANOSINE DIPHOSPHORIBOSE
Definition date:	2006-08-30
Last modified:	2021-03-01
Identifier:	[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

G23

G23
Name:	(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
Formula:	C23 H27 N3 O4 S
SMILES:	O=C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(=O)O)(C)C)Cc3ccccc3
InChi:	InChI=1S/C23H27N3O4S/c1-23(2)19(22(29)30)26-21(31-23)18(20(28)24-14-16-11-7-4-8-12-16)25-17(27)13-15-9-5-3-6-10-15/h3-12,18-19,21,26H,13-14H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)/t18-,19+,21-/m1/s1
Synonyms:	GR123976
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(2R,4S)-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

W33

W33
Name:	5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
Formula:	C18 H21 Cl N2 O3
SMILES:	Clc2c(OCCCCCc1onc(c1)C)ccc(c2)C3=NCCO3
InChi:	InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3
Synonyms:	COMPOUND VII
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole

G2H

G2H
Name:	2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE
Formula:	C3 H9 O6 P
SMILES:	O=P(O)(O)OC(CO)CO
InChi:	InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
Synonyms:	GLYCEROL-2-PHOSPHATE
Definition date:	2004-08-19
Last modified:	2021-03-01
Identifier:	2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate

G2K

G2K
Name:	2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
Formula:	C25 H25 Cl N4 O5
SMILES:	C2(=O)C(O)=C(C(=O)NCCc1ccccc1)N=C(N2)C3CCCN3C(COc4ccccc4Cl)=O
InChi:	InChI=1S/C25H25ClN4O5/c26-17-9-4-5-11-19(17)35-15-20(31)30-14-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-13-12-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1
Synonyms:	SRI-29843
Definition date:	2017-07-11
Last modified:	2021-03-01
Release date:	2018-01-03
Identifier:	2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide

G2R

G2R
Name:	[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:	C15 H23 N5 O14 P2
SMILES:	O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O
InChi:	InChI=1S/C15H23N5O14P2/c16-15-18-12-8(13(25)19-15)17-4-20(12)14-11(24)10(23)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(22)5(21)1-30-6/h4-7,9-11,14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,18,19,25)/t5-,6+,7+,9-,10-,11+,14+/m0/s1
Synonyms:	GUANOSINE DIPHOSPHORIBOSE INTERMEDIATE
Definition date:	2006-08-30
Last modified:	2021-03-01
Identifier:	[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

<436 437 438 439 440 441 442443444 445 446 447 448 449 450 451 >

222624

PDB entries from 2024-07-17

PDB statistics

PDBj update info

Contact PDBj

numon