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: 44101 results BIRD

TIS

TIS
Name:	O-(1,1-dihydroxyethyl)-L-serine
Formula:	C5 H11 N O5
SMILES:	O=C(O)C(N)COC(O)(O)C
InChi:	InChI=1S/C5H11NO5/c1-5(9,10)11-2-3(6)4(7)8/h3,9-10H,2,6H2,1H3,(H,7,8)/t3-/m0/s1
Definition date:	2009-01-28
Last modified:	2024-09-27
Identifier:	O-(1,1-dihydroxyethyl)-L-serine

WFZ

WFZ
Name:	2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid
Formula:	C16 H12 N4 O4 S2
SMILES:	COC(=O)c1csc(n1)c2ccc(C(O)=O)c(n2)c3csc(n3)C(N)=C
InChi:	InChI=1S/C16H12N4O4S2/c1-7(17)13-19-10(5-25-13)12-8(15(21)22)3-4-9(18-12)14-20-11(6-26-14)16(23)24-2/h3-6H,1,17H2,2H3,(H,21,22)
Definition date:	2023-10-03
Last modified:	2024-09-27
Release date:	2024-03-27
Identifier:	2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid

TXI

TXI
Name:	(2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide
Formula:	C10 H18 Cl N O4
SMILES:	O=C(NCCC(=O)CCl)C(O)C(C)(C)CO
InChi:	InChI=1S/C10H18ClNO4/c1-10(2,6-13)8(15)9(16)12-4-3-7(14)5-11/h8,13,15H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1
Definition date:	2011-09-06
Last modified:	2024-09-27
Identifier:	(2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide

XDD

XDD
Name:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
Formula:	C14 H19 N7 O3
SMILES:	C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N
InChi:	InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1
Definition date:	2020-12-11
Last modified:	2024-09-27
Release date:	2020-12-23
Identifier:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

WG0

WG0
Name:	[(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid
Formula:	C19 H17 Cl N4 O2 S
SMILES:	O=C(O)CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21
InChi:	InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1
Definition date:	2022-09-07
Last modified:	2024-09-27
Release date:	2023-10-04
Identifier:	[(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid

UQ0

UQ0
Name:	2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE
Formula:	C9 H10 O4
SMILES:	O=C1C=C(C(=O)C(OC)=C1OC)C
InChi:	InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3
Definition date:	2011-11-26
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione

ZDJ

ZDJ
Name:	3-methyl-L-tyrosine
Formula:	C10 H13 N O3
SMILES:	Cc1cc(CC(N)C(=O)O)ccc1O
InChi:	InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1
Definition date:	2021-04-15
Last modified:	2024-09-27
Release date:	2021-12-29
Identifier:	3-methyl-L-tyrosine

YB4

YB4
Name:	~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
Formula:	C35 H42 N8 O2
SMILES:	CCC(=O)Nc1cc(ccc1Nc2ncc3CCc4n(ccc4C(=O)Nc5c(CC)cccc5CC)c3n2)N6CCN(C)CC6
InChi:	InChI=1S/C35H42N8O2/c1-5-23-9-8-10-24(6-2)32(23)39-34(45)27-15-16-43-30(27)14-11-25-22-36-35(40-33(25)43)38-28-13-12-26(21-29(28)37-31(44)7-3)42-19-17-41(4)18-20-42/h8-10,12-13,15-16,21-22H,5-7,11,14,17-20H2,1-4H3,(H,37,44)(H,39,45)(H,36,38,40)
Definition date:	2021-02-15
Last modified:	2024-09-27
Release date:	2022-02-16
Identifier:	~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide

SQ6

SQ6
Name:	2,2'-azanediyldiacetic acid
Formula:	C4 H7 N O4
SMILES:	O=C(O)CNCC(=O)O
InChi:	InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
Definition date:	2022-07-07
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	2,2'-azanediyldiacetic acid

VKL

VKL
Name:	3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene
Formula:	C12 H12 F2 N4
SMILES:	C[n+]1nc(c[n+]2CCNc12)c3ccc(F)c(F)c3
InChi:	InChI=1S/C12H11F2N4/c1-17-12-15-4-5-18(12)7-11(16-17)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3/q+1/p+1
Definition date:	2023-03-09
Last modified:	2024-09-27
Release date:	2023-05-24
Identifier:	3-[3,4-bis(fluoranyl)phenyl]-1-methyl-7,8-dihydro-6~{H}-imidazo[2,1-c][1,2,4]triazine-1,5-diium

UQ1

UQ1
Name:	UBIQUINONE-1
Formula:	C14 H18 O4
SMILES:	O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)C
InChi:	InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

ZDL

ZDL
Name:	1,3-dimethylimidazolidine
Formula:	C5 H12 N2
SMILES:	CN1CCN(C)C1
InChi:	InChI=1S/C5H12N2/c1-6-3-4-7(2)5-6/h3-5H2,1-2H3
Definition date:	2023-06-23
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	1,3-dimethylimidazolidine

T47

T47
Name:	1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C13 H17 Cl N2 O
SMILES:	N1(CCN(C(C)=O)CC1)Cc2cccc(c2)Cl
InChi:	InChI=1S/C13H17ClN2O/c1-11(17)16-7-5-15(6-8-16)10-12-3-2-4-13(14)9-12/h2-4,9H,5-8,10H2,1H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one

V4T

V4T
Name:	1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2
Formula:	C24 H21 Cl F2 N4 O3
SMILES:	C[CH]1CN2[CH](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C
InChi:	InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1
Synonyms:	146250992
Definition date:	2021-04-12
Last modified:	2024-09-27
Release date:	2022-04-20

VKN

VKN
Name:	(1R,2S,4S,5R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
Formula:	C7 H14 O6
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4-,5+,6+,7+/m1/s1
Definition date:	2021-05-25
Last modified:	2024-09-27
Release date:	2022-02-02
Identifier:	(1~{R},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol

UCI

UCI
Name:	(3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form)
Formula:	C21 H23 F3 N2 O4 S
SMILES:	O=S(=O)(CC)N1CC(CC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1
InChi:	InChI=1S/C21H23F3N2O4S/c1-2-31(28,29)26-13-16(15-6-4-3-5-7-15)12-17(14-26)20(27)25-18-8-10-19(11-9-18)30-21(22,23)24/h3-11,16-17H,2,12-14H2,1H3,(H,25,27)/t16-,17-/m1/s1
Definition date:	2022-08-16
Last modified:	2024-09-27
Release date:	2023-05-10
Identifier:	(3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

VZB

VZB
Name:	(1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C23 H37 N3 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COC1CCCCC1
InChi:	InChI=1S/C23H37N3O5/c1-23(2)17-11-26(18(28)13-31-16-6-4-3-5-7-16)20(19(17)23)22(30)25-15(12-27)10-14-8-9-24-21(14)29/h14-17,19-20,27H,3-13H2,1-2H3,(H,24,29)(H,25,30)/t14-,15+,17-,19-,20-/m0/s1
Synonyms:	MPI64
Definition date:	2023-09-20
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	(1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

YB9

YB9
Name:	1-carbamamido-1,2-dideoxy-5-O-phosphono-L-threo-pentitol
Formula:	C6 H15 N2 O7 P
SMILES:	O=P(O)(O)OCC(O)C(O)CCNC(N)=O
InChi:	InChI=1S/C6H15N2O7P/c7-6(11)8-2-1-4(9)5(10)3-15-16(12,13)14/h4-5,9-10H,1-3H2,(H3,7,8,11)(H2,12,13,14)/t4-,5-/m0/s1
Definition date:	2023-01-22
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	1-carbamamido-1,2-dideoxy-5-O-phosphono-L-threo-pentitol

UCJ

UCJ
Name:	propan-2-yl hydrogen (S)-methylphosphonate
Formula:	C4 H11 O3 P
SMILES:	O=P(OC(C)C)(O)C
InChi:	InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6)
Definition date:	2020-05-07
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	propan-2-yl hydrogen (S)-methylphosphonate

UQ4

UQ4
Name:	N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
Formula:	C9 H8 N4 O5
SMILES:	C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O
InChi:	InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15)
Definition date:	2020-05-27
Last modified:	2024-09-27
Release date:	2020-06-03
Identifier:	N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine

XDJ

XDJ
Name:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine
Formula:	C14 H19 N7 O4
SMILES:	C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O
InChi:	InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1
Definition date:	2020-12-11
Last modified:	2024-09-27
Release date:	2020-12-23
Identifier:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine

ZDP

ZDP
Name:	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
Formula:	C8 H16 N2 O4
SMILES:	O=C(O)C(N)(CCCC(N)C(=O)O)C
InChi:	InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m0/s1
Definition date:	2006-04-13
Last modified:	2024-09-27
Identifier:	(2S,6S)-2,6-diamino-2-methylheptanedioic acid

ZDR

ZDR
Name:	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
Formula:	C8 H16 N2 O4
SMILES:	O=C(O)C(N)(CCCC(N)C(=O)O)C
InChi:	InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8+/m0/s1
Definition date:	2006-04-13
Last modified:	2024-09-27
Identifier:	(2R,6S)-2,6-diamino-2-methylheptanedioic acid

XU3

XU3
Name:	(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
Formula:	C23 H23 Cl2 N3 O4 S2
SMILES:	Clc1sc(cc1)C5(C(=O)N4C(C(=O)NC2(C=[N@H])CC2)CC(S(=O)(=O)c3ccccc3Cl)C4)CC5
InChi:	InChI=1S/C23H23Cl2N3O4S2/c24-15-3-1-2-4-17(15)34(31,32)14-11-16(20(29)27-22(13-26)7-8-22)28(12-14)21(30)23(9-10-23)18-5-6-19(25)33-18/h1-6,13-14,16,26H,7-12H2,(H,27,29)/b26-13+/t14-,16+/m1/s1
Definition date:	2010-10-15
Last modified:	2024-09-27
Identifier:	(4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide

K5H

K5H
Name:	(2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid
Formula:	C6 H10 F3 N O4 S
SMILES:	N[CH](CSCC(O)(O)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C6H10F3NO4S/c7-6(8,9)5(13,14)2-15-1-3(10)4(11)12/h3,13-14H,1-2,10H2,(H,11,12)/t3-/m0/s1
Definition date:	2019-04-26
Last modified:	2024-09-27
Release date:	2019-07-31
Identifier:	(2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid

<37 38 39 40 41 42 434445 46 47 48 49 50 51 52 >

225946

数据于2024-10-09公开中

PDB statistics

PDBj update info

Contact PDBj

numon