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: 27516 results BIRD

IYJ

IYJ
Name:	(6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
Formula:	C9 H7 Cl2 N5
SMILES:	Clc1cccc(c1Cl)c1nnc(N)nc1N
InChi:	InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
Definition date:	2023-08-04
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	(6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine

K1C

K1C
Name:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine
Formula:	C21 H24 F2 N10 O9 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C21H24F2N10O9P2/c22-11-9(32-6-30-13-17(24)26-4-28-19(13)32)1-8-2-38-43(34,35)42-16-10(3-39-44(36,37)41-15(8)11)40-21(12(16)23)33-7-31-14-18(25)27-5-29-20(14)33/h4-12,15-16,21H,1-3H2,(H,34,35)(H,36,37)(H2,24,26,28)(H2,25,27,29)/t8-,9-,10-,11+,12-,15-,16-,21-/m1/s1
Definition date:	2022-05-16
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine

L6X

L6X
Name:	4-methoxy-3-oxidanyl-benzoic acid
Formula:	C8 H8 O4
SMILES:	COc1ccc(cc1O)C(O)=O
InChi:	InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
Definition date:	2022-11-16
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	4-methoxy-3-oxidanyl-benzoic acid

LN9

LN9
Name:	1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
Formula:	C21 H24 O10
SMILES:	OC[CH]1O[CH](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
Synonyms:	Phlorizin
Definition date:	2022-12-01
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	1-[2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one

E5I

E5I
Name:	(1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone
Formula:	C29 H38 N2 O6
SMILES:	CC[CH]1C[CH]2C[CH]3[CH]4CC=CC(=O)NCC[CH](O)[CH]5NC(=O)C(=C(O)C=C[CH]4CC(=O)[CH]3[CH]2[CH]1C)C5=O
InChi:	InChI=1S/C29H38N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21,24-25,27,32-33H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20-/t14-,15+,16+,17+,18-,19+,21-,24+,25-,27-/m0/s1
Synonyms:	10-Epi-maltophilin
Definition date:	2023-06-14
Last modified:	2023-11-10
Release date:	2023-11-15

EIA

EIA
Name:	(1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione
Formula:	C29 H38 N2 O4
SMILES:	CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3C=C[CH]12)C5=O)O
InChi:	InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1
Synonyms:	ikarugamycin
Definition date:	2023-06-14
Last modified:	2023-11-10
Release date:	2023-11-15

EIU

EIU
Name:	(1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione
Formula:	C29 H40 N2 O5
SMILES:	CC[CH]1C[CH]2C[CH]3CC=CCC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH](O)[CH]3[CH]2[CH]1C)C4=O
InChi:	InChI=1S/C29H40N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,11-12,17-22,25-26,32-33H,3,8-10,13-16H2,1-2H3,(H,30,34)(H,31,36)/b7-4+,11-5+,12-6+,27-23-/t17-,18+,19-,20+,21-,22-,25+,26-/m0/s1
Definition date:	2023-06-15
Last modified:	2023-11-10
Release date:	2023-11-15

F7Z

F7Z
Name:	(1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione
Formula:	C29 H38 N2 O5
SMILES:	CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3[CH]6O[CH]6[CH]12)C5=O)O
InChi:	InChI=1S/C29H38N2O5/c1-3-16-14(2)12-18-19-13-15-9-10-21(32)25-26(34)20(31-29(25)35)7-5-11-30-22(33)8-4-6-17(15)24(19)28-27(36-28)23(16)18/h4,8-10,14-20,23-24,27-28,32H,3,5-7,11-13H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,10-9+,25-21-/t14-,15-,16-,17+,18-,19-,20+,23+,24-,27-,28+/m1/s1
Synonyms:	epoxyikarugamycin
Definition date:	2023-06-29
Last modified:	2023-11-10
Release date:	2023-11-15

KZU

KZU
Name:	2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide
Formula:	C24 H27 N7 O3 S2
SMILES:	COCCn1cc(COc2cccc(Cc3sc(NC(=O)CSc4nc(C)cc(C)n4)nc3)c2)nn1
InChi:	InChI=1S/C24H27N7O3S2/c1-16-9-17(2)27-24(26-16)35-15-22(32)28-23-25-12-21(36-23)11-18-5-4-6-20(10-18)34-14-19-13-31(30-29-19)7-8-33-3/h4-6,9-10,12-13H,7-8,11,14-15H2,1-3H3,(H,25,28,32)
Synonyms:	triazole-based sirtuin-rearranging ligand (SirReal)
Definition date:	2022-06-08
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide

LE6

LE6
Name:	(2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C21 H25 Cl O6
SMILES:	CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc1
InChi:	InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
Synonyms:	Dapagliflozin
Definition date:	2022-11-18
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

LFL

LFL
Name:	(2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol
Formula:	C21 H25 Cl O5 S
SMILES:	CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](SC)[CH](O)[CH](O)[CH]3O)cc1
InChi:	InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
Synonyms:	Sotagliflozin
Definition date:	2022-11-18
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol

67I

67I
Name:	(2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid
Formula:	C11 H10 Br2 N2 O2
SMILES:	N[CH](Cc1c[nH]c2c(Br)cc(Br)cc12)C(O)=O
InChi:	InChI=1S/C11H10Br2N2O2/c12-6-2-7-5(1-9(14)11(16)17)4-15-10(7)8(13)3-6/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1
Definition date:	2023-01-12
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	(2~{S})-2-azanyl-3-[5,7-bis(bromanyl)-1~{H}-indol-3-yl]propanoic acid

DSG

DSG
Name:	D-ASPARAGINE
Formula:	C4 H8 N2 O3
SMILES:	O=C(N)CC(N)C(=O)O
InChi:	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1
Definition date:	2004-06-28
Last modified:	2023-11-03
Identifier:	D-asparagine

DSN

DSN
Name:	D-SERINE
Formula:	C3 H7 N O3
SMILES:	O=C(O)C(N)CO
InChi:	InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-serine

DTH

DTH
Name:	D-THREONINE
Formula:	C4 H9 N O3
SMILES:	O=C(O)C(N)C(O)C
InChi:	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-threonine

DTR

DTR
Name:	D-TRYPTOPHAN
Formula:	C11 H12 N2 O2
SMILES:	O=C(O)C(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-tryptophan

DTY

DTY
Name:	D-TYROSINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-tyrosine

DVA

DVA
Name:	D-VALINE
Formula:	C5 H11 N O2
SMILES:	O=C(O)C(N)C(C)C
InChi:	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-valine

DAR

DAR
Name:	D-ARGININE
Formula:	C6 H15 N4 O2
SMILES:	O=C(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium

DAS

DAS
Name:	D-ASPARTIC ACID
Formula:	C4 H7 N O4
SMILES:	O=C(O)CC(N)C(=O)O
InChi:	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-aspartic acid

DCY

DCY
Name:	D-CYSTEINE
Formula:	C3 H7 N O2 S
SMILES:	O=C(O)C(N)CS
InChi:	InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-cysteine

DGL

DGL
Name:	D-GLUTAMIC ACID
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(N)CCC(=O)O
InChi:	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
Definition date:	1999-07-07
Last modified:	2023-11-03
Identifier:	D-glutamic acid

DGN

DGN
Name:	D-GLUTAMINE
Formula:	C5 H10 N2 O3
SMILES:	O=C(N)CCC(N)C(=O)O
InChi:	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-glutamine

DHI

DHI
Name:	D-HISTIDINE
Formula:	C6 H10 N3 O2
SMILES:	O=C(O)C(N)Cc1cnc[nH+]1
InChi:	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m1/s1
Definition date:	1999-09-08
Last modified:	2023-11-03
Identifier:	3-(1H-imidazol-3-ium-4-yl)-D-alanine

DIL

DIL
Name:	D-ISOLEUCINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)CC
InChi:	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-isoleucine

<151 152 153 154 155 156 157158159 160 161 162 163 164 165 166 >

226262

数据于2024-10-16公开中

PDB statistics

PDBj update info

Contact PDBj

numon