Chemie クエリの検索結果 - 日本蛋白質構造データバンク

English 日本語简体中文繁體中文 한국어

✖

ﾒﾆｭｰ

RCSB PDB PDBe BMRB Adv. Search Search help

PDB ウェブページステータス検索化合物検索: 36565 件 BIRD

ZGS

ZGS
表記:	[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{Z},12~{Z},15~{Z})-octadeca-9,12,15-trienoate
組成式:	C26 H49 N O7 P
SMILES:	C[N+](C)(C)CCOP(O)(=O)OCC(O)COC(=O)CCCCCCC/C=CC/C=CC/C=CCC
InChi:	InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/p+1/b7-6-,10-9-,13-12-/t25-/m1/s1
別名:	LysoPC(18:3(9Z,12Z,15Z))
定義日:	2021-04-21
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	(4S,7R,18Z,21Z,24Z)-4,7-dihydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacosa-18,21,24-trien-1-aminium

TJ8

TJ8
表記:	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
組成式:	C16 H11 Br N2 O
SMILES:	Brc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11BrN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
別名:	LvD1009
定義日:	2020-12-22
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

UPQ

UPQ
表記:	4-(4-methylimidazol-1-yl)benzaldehyde
組成式:	C11 H10 N2 O
SMILES:	Cc1cn(cn1)c2ccc(C=O)cc2
InChi:	InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3
定義日:	2021-03-04
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	4-(4-methylimidazol-1-yl)benzaldehyde

TJB

TJB
表記:	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde
組成式:	C16 H11 Cl N2 O
SMILES:	Clc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11ClN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
別名:	LvD1017
定義日:	2020-12-22
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde

RVK

RVK
表記:	Adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere
組成式:	C16 H25 N5 O14 P2
SMILES:	CO[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O
InChi:	InChI=1S/C16H25N5O14P2/c1-30-16-12(25)10(23)7(34-16)3-32-37(28,29)35-36(26,27)31-2-6-9(22)11(24)15(33-6)21-5-20-8-13(17)18-4-19-14(8)21/h4-7,9-12,15-16,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16+/m1/s1
別名:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
定義日:	2020-10-23
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

QOZ

QOZ
表記:	2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
組成式:	C25 H28 N4 O3 S
SMILES:	N[S](=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1
InChi:	InChI=1S/C25H28N4O3S/c26-33(31,32)23-13-11-22(12-14-23)27-24(30)19-28-15-17-29(18-16-28)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,27,30)(H2,26,31,32)
定義日:	2020-07-13
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide

TJK

TJK
表記:	2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde
組成式:	C16 H9 Br2 F N2 O
SMILES:	Fc1ccc(Br)cc1c2nccn2c3ccc(C=O)c(Br)c3
InChi:	InChI=1S/C16H9Br2FN2O/c17-11-2-4-15(19)13(7-11)16-20-5-6-21(16)12-3-1-10(9-22)14(18)8-12/h1-9H
別名:	PC2068B
定義日:	2020-12-22
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde

V5Z

V5Z
表記:	DMHBO+
組成式:	C22 H25 N4 O5
SMILES:	COc1cc(cc(OC)c1O)C=C2N=C(C=NO)N(C2=O)c3ccc(cc3)[N+](C)(C)C
InChi:	InChI=1S/C22H24N4O5/c1-26(2,3)16-8-6-15(7-9-16)25-20(13-23-29)24-17(22(25)28)10-14-11-18(30-4)21(27)19(12-14)31-5/h6-13H,1-5H3,(H-,23,24,27,28,29)/p+1
別名:	[4-[(4Z)-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-[(Z)-hydroxyiminomethyl]-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium
定義日:	2021-04-19
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	[4-[(4~{Z})-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-[(~{Z})-hydroxyiminomethyl]-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium

SQ0

SQ0
表記:	3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione
組成式:	C14 H24 N2 O5
SMILES:	O=C1C(NCCCCCCO)=C(NCCOCCO)C1=O
InChi:	InChI=1S/C14H24N2O5/c17-7-4-2-1-3-5-15-11-12(14(20)13(11)19)16-6-9-21-10-8-18/h15-18H,1-10H2
定義日:	2021-04-12
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione

UQN

UQN
表記:	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
組成式:	C16 H12 Br2 N2
SMILES:	Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br
InChi:	InChI=1S/C16H12Br2N2/c1-11-6-7-12(10-15(11)18)20-9-8-19-16(20)13-4-2-3-5-14(13)17/h2-10H,1H3
定義日:	2021-03-09
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole

UQW

UQW
表記:	[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
組成式:	C17 H20 N2 O3
SMILES:	CC[CH](OC(=O)C=C)C(=O)NCCc1c[nH]c2ccccc12
InChi:	InChI=1S/C17H20N2O3/c1-3-15(22-16(20)4-2)17(21)18-10-9-12-11-19-14-8-6-5-7-13(12)14/h4-8,11,15,19H,2-3,9-10H2,1H3,(H,18,21)/t15-/m1/s1
別名:	[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
定義日:	2021-03-09
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate

UQZ

UQZ
表記:	~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide
組成式:	C22 H24 N2 O5
SMILES:	CCCN([CH](C(=O)NCc1ccc2OCOc2c1)c3cccc(O)c3)C(=O)C=C
InChi:	InChI=1S/C22H24N2O5/c1-3-10-24(20(26)4-2)21(16-6-5-7-17(25)12-16)22(27)23-13-15-8-9-18-19(11-15)29-14-28-18/h4-9,11-12,21,25H,2-3,10,13-14H2,1H3,(H,23,27)/t21-/m0/s1
定義日:	2021-03-09
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide

TKH

TKH
表記:	[4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol
組成式:	C16 H9 Br F2 N2 O
SMILES:	Fc1ccc(c(F)c1)c2nccn2c3ccc(C=O)c(Br)c3
InChi:	InChI=1S/C16H9BrF2N2O/c17-14-8-12(3-1-10(14)9-22)21-6-5-20-16(21)13-4-2-11(18)7-15(13)19/h1-9H
定義日:	2021-01-05
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-benzaldehyde

V6T

V6T
表記:	DMHBI+
組成式:	C22 H26 N3 O4
SMILES:	COc1cc(cc(OC)c1O)C=C2N=C(C)N(C2=O)c3ccc(cc3)[N+](C)(C)C
InChi:	InChI=1S/C22H25N3O4/c1-14-23-18(11-15-12-19(28-5)21(26)20(13-15)29-6)22(27)24(14)16-7-9-17(10-8-16)25(2,3)4/h7-13H,1-6H3/p+1
別名:	5-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-2-methyl-3-[4-(trimethyl-$l^{4}-azanyl)phenyl]-2~{H}-imidazol-4-one
定義日:	2021-04-20
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	[4-[(4~{Z})-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium

TKK

TKK
表記:	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
組成式:	C16 H10 Br2 N2 O
SMILES:	Brc1ccccc1c2nccn2c3ccc(C=O)c(Br)c3
InChi:	InChI=1S/C16H10Br2N2O/c17-14-4-2-1-3-13(14)16-19-7-8-20(16)12-6-5-11(10-21)15(18)9-12/h1-10H
定義日:	2021-01-06
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-bromanyl-4-[2-(2-bromophenyl)imidazol-1-yl]benzaldehyde

URK

URK
表記:	[(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
組成式:	C20 H20 N2 O7
SMILES:	COc1cccc(CNC(=O)[CH](OC(=O)C=C)c2ccc(cc2)[N+]([O-])=O)c1OC
InChi:	InChI=1S/C20H20N2O7/c1-4-17(23)29-19(13-8-10-15(11-9-13)22(25)26)20(24)21-12-14-6-5-7-16(27-2)18(14)28-3/h4-11,19H,1,12H2,2-3H3,(H,21,24)/t19-/m0/s1
別名:	[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
定義日:	2021-03-10
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate

TL8

TL8
表記:	2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
組成式:	C17 H14 N2 O2
SMILES:	COc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H14N2O2/c1-21-16-11-15(8-7-14(16)12-20)19-10-9-18-17(19)13-5-3-2-4-6-13/h2-12H,1H3
定義日:	2021-01-08
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde

TLK

TLK
表記:	3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
組成式:	C17 H14 N2 O2
SMILES:	COc1cc(C=O)ccc1n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H14N2O2/c1-21-16-11-13(12-20)7-8-15(16)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3
定義日:	2021-01-11
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde

US8

US8
表記:	2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide
組成式:	C16 H16 N2 O2 S
SMILES:	CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3
InChi:	InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20)
別名:	2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
定義日:	2021-03-10
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide

TLQ

TLQ
表記:	4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde
組成式:	C20 H14 N2 O
SMILES:	O=Cc1ccc(n2ccnc2c3ccccc3)c4ccccc14
InChi:	InChI=1S/C20H14N2O/c23-14-16-10-11-19(18-9-5-4-8-17(16)18)22-13-12-21-20(22)15-6-2-1-3-7-15/h1-14H
定義日:	2021-01-11
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde

USH

USH
表記:	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
組成式:	C14 H19 Cl N2 O3
SMILES:	CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl
InChi:	InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
定義日:	2021-03-12
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide

UFH

UFH
表記:	2-bromanyl-4-imidazol-1-yl-benzaldehyde
組成式:	C10 H7 Br N2 O
SMILES:	Brc1cc(ccc1C=O)n2ccnc2
InChi:	InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
定義日:	2021-02-12
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-bromanyl-4-imidazol-1-yl-benzaldehyde

YXD

YXD
表記:	N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
組成式:	C23 H25 F3 N6 O2
SMILES:	Cn1cc(cn1)c1nc(ccc1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCC(C1)C(C)(C)O
InChi:	InChI=1S/C23H25F3N6O2/c1-22(2,34)15-7-8-32(13-15)16-9-19(20(27-11-16)23(24,25)26)30-21(33)18-6-4-5-17(29-18)14-10-28-31(3)12-14/h4-6,9-12,15,34H,7-8,13H2,1-3H3,(H,30,33)/t15-/m0/s1
定義日:	2021-04-05
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide

UG2

UG2
表記:	[4-(2-phenylimidazol-1-yl)phenyl]methanol
組成式:	C16 H14 N2 O
SMILES:	OCc1ccc(cc1)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H14N2O/c19-12-13-6-8-15(9-7-13)18-11-10-17-16(18)14-4-2-1-3-5-14/h1-11,19H,12H2
定義日:	2021-02-16
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	[4-(2-phenylimidazol-1-yl)phenyl]methanol

UG5

UG5
表記:	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
組成式:	C11 H7 F3 N2 O
SMILES:	FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2
InChi:	InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-16(7-15-10)9-3-1-8(6-17)2-4-9/h1-7H
定義日:	2021-02-16
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde

<344 345 346 347 348 349 350351352 353 354 355 356 357 358 359 >

223790

件を2024-08-14に公開中

PDB statistics

PDBj update info

Contact PDBj

numon