Chemie Search results for query - 日本蛋白质结构数据库

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: 44311 results BIRD

JTP

JTP
Name:	N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE
Formula:	C27 H30 N2 O4
SMILES:	O=C(O)C(NC(=O)c5cc1c(c(c2n1CCOc3ccccc23)C4CCCCC4)cc5)(C)C
InChi:	InChI=1S/C27H30N2O4/c1-27(2,26(31)32)28-25(30)18-12-13-19-21(16-18)29-14-15-33-22-11-7-6-10-20(22)24(29)23(19)17-8-4-3-5-9-17/h6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3,(H,28,30)(H,31,32)
Synonyms:	2-[(12-CYCLOHEXYL-6,7-DIHYDRO-5-OXA-7A-AZA-DIBENZO[A,E]AZULENE-9-CARBONYL)-AMINO]-2-METHYL-PROPIONIC ACID
Definition date:	2006-09-01
Last modified:	2020-06-17
Identifier:	N-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-D-alanine

0TR

0TR
Name:	2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE
Formula:	C7 H6 O2
SMILES:	OC1=CC=CC=CC1=O
InChi:	InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
Synonyms:	TROPOLONE
Definition date:	2011-02-17
Last modified:	2020-06-17
Identifier:	2-hydroxycyclohepta-2,4,6-trien-1-one

JUV

JUV
Name:	(2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
Formula:	C18 H16 O6
SMILES:	c2cc([C@H]=[C@H]C(=O)OC(C(O)=O)Cc1ccc(cc1)O)ccc2O
InChi:	InChI=1S/C18H16O6/c19-14-6-1-12(2-7-14)5-10-17(21)24-16(18(22)23)11-13-3-8-15(20)9-4-13/h1-10,16,19-20H,11H2,(H,22,23)/b10-5+/t16-/m1/s1
Synonyms:	4-coumaroyl-(R)-3-(4-hydroxyphenyl)lactate
Definition date:	2018-09-25
Last modified:	2020-06-17
Release date:	2019-09-11
Identifier:	(2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid

JY
Name:	3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL
Formula:	C28 H38 O2
SMILES:	OC4CC(=C/C=C2CCCC3(C)C(C(C)Cc1cccc(O)c1)CCC23)/C(=C)CC4
InChi:	InChI=1S/C28H38O2/c1-19-9-12-25(30)18-23(19)11-10-22-7-5-15-28(3)26(13-14-27(22)28)20(2)16-21-6-4-8-24(29)17-21/h4,6,8,10-11,17,20,25-27,29-30H,1,5,7,9,12-16,18H2,2-3H3/b22-10+,23-11-/t20-,25+,26-,27+,28-/m1/s1
Synonyms:	22-(M-HYDROXYPHENYL)-23,24,25,26,27-PENTANOR VITAMIN D3
Definition date:	2001-06-06
Last modified:	2020-06-17
Identifier:	3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propyl}phenol (non-preferred name)

JYD

JYD
Name:	(2S)-2-sulfanylbutanedioic acid
Formula:	C4 H6 O4 S
SMILES:	C(C(=O)O)C(S)C(O)=O
InChi:	InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1
Synonyms:	thiomalate
Definition date:	2018-10-18
Last modified:	2020-06-17
Release date:	2019-01-30
Identifier:	(2S)-2-sulfanylbutanedioic acid

JZ0

JZ0
Name:	o-cresol
Formula:	C7 H8 O
SMILES:	Cc1ccccc1O
InChi:	InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
Synonyms:	ortho-cresol,2-methylphenol
Definition date:	2009-06-15
Last modified:	2020-06-17
Identifier:	2-methylphenol

JZ3

JZ3
Name:	Guaiacol
Formula:	C7 H8 O2
SMILES:	Oc1ccccc1OC
InChi:	InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
Synonyms:	2-methoxyphenol
Definition date:	2009-06-16
Last modified:	2020-06-17
Identifier:	2-methoxyphenol

JZA

JZA
Name:	4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine
Formula:	C7 H12 N2 O4 S
SMILES:	O=C(N1CCOCC1)N2CCS2(=O)=O
InChi:	InChI=1S/C7H12N2O4S/c10-7(8-1-4-13-5-2-8)9-3-6-14(9,11)12/h1-6H2
Synonyms:	beta-sultam
Definition date:	2009-08-10
Last modified:	2020-06-17
Identifier:	(1,1-dioxido-1,2-thiazetidin-2-yl)(morpholin-4-yl)methanone

JZQ

JZQ
Name:	(4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Formula:	C33 H35 F2 N3 O6 S
SMILES:	O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(F)cccc3F)Cc4ccccc4)CSC5(C)C
InChi:	InChI=1S/C33H35F2N3O6S/c1-33(2)30(31(42)37-27-21-12-7-6-11-20(21)16-25(27)39)38(18-45-33)32(43)28(41)24(15-19-9-4-3-5-10-19)36-26(40)17-44-29-22(34)13-8-14-23(29)35/h3-14,24-25,27-28,30,39,41H,15-18H2,1-2H3,(H,36,40)(H,37,42)/t24-,25+,27-,28-,30+/m0/s1
Synonyms:	KNI-10265
Definition date:	2009-10-23
Last modified:	2020-06-17
Identifier:	(4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

K21

K21
Name:	4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE
Formula:	C25 H32 N2 O2 S
SMILES:	O=C(N1Cc2c(SCC1)ccc(OC)c2)CCN4CCC(Cc3ccccc3)CC4
InChi:	InChI=1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3
Synonyms:	K201
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	4-[3-(4-benzylpiperidin-1-yl)propanoyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

MXD

MXD
Name:	6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE
Formula:	C9 H15 N5 O
SMILES:	[O-][n+]1c(nc(cc1N)N2CCCCC2)N
InChi:	InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
Synonyms:	MINOXIDIL
Definition date:	2005-11-11
Last modified:	2020-06-17
Identifier:	6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide

MXM

MXM
Name:	4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
Formula:	C14 H13 N3 O4 S2
SMILES:	O=C(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(=O)(=O)N3C
InChi:	InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
Synonyms:	Meloxicam
Definition date:	2013-08-09
Last modified:	2020-06-17
Release date:	2014-01-22
Identifier:	4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

MXN

MXN
Name:	(2R)-hydroxy(phenyl)ethanenitrile
Formula:	C8 H7 N O
SMILES:	N#CC(O)c1ccccc1
InChi:	InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1
Synonyms:	(R)-mandelonitrile
Definition date:	2009-02-26
Last modified:	2020-06-17
Identifier:	(2R)-hydroxy(phenyl)ethanenitrile

MXP

MXP
Name:	Myxopyronin B
Formula:	C23 H31 N O6
SMILES:	O=C(C1=C(O)C=C(OC1=O)CCCC=CNC(=O)OC)C(=CC=C(/C)CCCC)C
InChi:	InChI=1S/C23H31NO6/c1-5-6-10-16(2)12-13-17(3)21(26)20-19(25)15-18(30-22(20)27)11-8-7-9-14-24-23(28)29-4/h9,12-15,25H,5-8,10-11H2,1-4H3,(H,24,28)/b14-9+,16-12+,17-13+
Synonyms:	methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate
Definition date:	2008-10-16
Last modified:	2020-06-17
Identifier:	methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate

MYC

MYC
Name:	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Formula:	C15 H10 O8
SMILES:	O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O
InChi:	InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
Synonyms:	2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE
Definition date:	2000-10-04
Last modified:	2020-06-17
Identifier:	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

MYD

MYD
Name:	{[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID MONO-[2-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-ETHYL] ESTER
Formula:	C23 H29 N5 O13 P2
SMILES:	O=C5OCc1c5c(O)c(c(OC)c1C)CCOP(=O)(O)CP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:	InChI=1S/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1
Synonyms:	C2-MYCOPHENOLIC ADENINE DINUCLEOTIDE
Definition date:	2002-12-20
Last modified:	2020-06-17
Identifier:	5'-O-[(R)-hydroxy({(S)-hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosine

MYF

MYF
Name:	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Formula:	C15 H10 O7
SMILES:	O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc3O
InChi:	InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
Synonyms:	2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
Definition date:	2006-12-22
Last modified:	2020-06-17
Identifier:	5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

MYI

MYI
Name:	(5-methoxy-1H-indol-3-yl)acetic acid
Formula:	C11 H11 N O3
SMILES:	COc1ccc2[nH]cc(CC(O)=O)c2c1
InChi:	InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
Synonyms:	5-methoxy-indole acetate
Definition date:	2010-02-08
Last modified:	2020-06-17
Identifier:	2-(5-methoxy-1H-indol-3-yl)ethanoic acid

MYU

MYU
Name:	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Formula:	C15 H10 O8
SMILES:	O=C1c3c(O)c(O)c(O)cc3OC(=C1O)c2ccc(O)c(O)c2
InChi:	InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
Synonyms:	2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE
Definition date:	2007-07-10
Last modified:	2020-06-17
Identifier:	2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one

MYX

MYX
Name:	(2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID E
Formula:	C25 H33 N3 O3 S2
SMILES:	O=C(N)C=C(OC)C(C)C(OC)/C=C/c1nc(sc1)c2nc(sc2)C(C=CC=CC(C)C)C
InChi:	InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1
Synonyms:	7-[2'-(1,6-DIMETHYL-HEPTA-2,4-DIENYL)-[2,4']BITHIAZOLYL-4-YL]-3,5-DIMETHOXY-4-METHYL-HEPTA-2,6-DIENOIC ACID AMIDE
Definition date:	2004-03-29
Last modified:	2020-06-17
Identifier:	(2E,4R,5S,6E)-7-{2'-[(1S,2E,4E)-1,6-dimethylhepta-2,4-dien-1-yl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamide

MZ0

MZ0
Name:	1H-imidazol-5-ylmethanol
Formula:	C4 H6 N2 O
SMILES:	OCc1cncn1
InChi:	InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
Synonyms:	4(5)-(hydroxymethyl)imidazole
Definition date:	2012-10-26
Last modified:	2020-06-17
Release date:	2013-10-23
Identifier:	1H-imidazol-5-ylmethanol

MZJ

MZJ
Name:	1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
Formula:	C25 H27 N5 O2
SMILES:	n1c(c(c(nc1)N)c2ccc(cc2)Oc3ccccc3)NCC4CCN(C(=O)[C@H]=C)CC4
InChi:	InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)
Synonyms:	Evobrutinib
Definition date:	2019-04-24
Last modified:	2020-06-17
Release date:	2019-08-14
Identifier:	1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one

MZR

MZR
Name:	5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
Formula:	C9 H13 N3 O6
SMILES:	O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N
InChi:	InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
Synonyms:	Mizoribine
Definition date:	2011-07-12
Last modified:	2020-06-17
Identifier:	5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide

MZY

MZY
Name:	1,3-dihydroimidazole-2-thione
Formula:	C3 H4 N2 S
SMILES:	S=C1NC=CN1
InChi:	InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
Synonyms:	2-Mercaptoimidazole
Definition date:	2016-05-12
Last modified:	2020-06-17
Release date:	2016-06-01
Identifier:	1,3-dihydroimidazole-2-thione

N11

N11
Name:	6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
Formula:	C12 H15 N3 O4 S
SMILES:	[O-][N+](=O)c1ccc(SCCCCCCO)c2nonc12
InChi:	InChI=1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2
Synonyms:	6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol
Definition date:	2009-04-08
Last modified:	2020-06-17
Identifier:	6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol

<833 834 835 836 837 838 839840841 842 843 844 845 846 847 848 >

245011

数据于2025-11-19公开中

PDB statistics

PDBj update info

Contact PDBj

numon