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: 43993 件 BIRD

UYG

UYG
表記:	(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione
組成式:	C16 H19 N3 O2
SMILES:	c2cccc3c(CC1C(NC(C(=O)N1)C(C)C)=O)cnc23
InChi:	InChI=1S/C16H19N3O2/c1-9(2)14-16(21)18-13(15(20)19-14)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,17H,7H2,1-2H3,(H,18,21)(H,19,20)/t13-,14-/m0/s1
定義日:	2020-06-05
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione

UYM

UYM
表記:	(3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione
組成式:	C22 H20 N4 O2
SMILES:	n4cc(CC3C(NC(Cc2c1c(cccc1)nc2)C(=O)N3)=O)c5c4cccc5
InChi:	InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1
定義日:	2020-06-05
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	(3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione

ZPV

ZPV
表記:	N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine
組成式:	C20 H21 F N2 O5 S
SMILES:	O=S(=O)(c1ccc(C(=O)NCC(=O)O)c(F)c1)N1CCC(CC1)c1ccccc1
InChi:	InChI=1S/C20H21FN2O5S/c21-18-12-16(6-7-17(18)20(26)22-13-19(24)25)29(27,28)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,26)(H,24,25)
定義日:	2021-05-18
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine

UZS

UZS
表記:	N-hydroxy-7-sulfanylheptanamide
組成式:	C7 H15 N O2 S
SMILES:	ONC(CCCCCCS)=O
InChi:	InChI=1S/C7H15NO2S/c9-7(8-10)5-3-1-2-4-6-11/h10-11H,1-6H2,(H,8,9)
定義日:	2020-06-09
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	N-hydroxy-7-sulfanylheptanamide

ZQ1

ZQ1
表記:	N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine
組成式:	C19 H20 Cl N3 O5 S
SMILES:	O=S(=O)(c1ccc(nc1)C(=O)NCC(=O)O)N1CCC(CC1)c1ccc(Cl)cc1
InChi:	InChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25)
定義日:	2021-05-18
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine

ZQA

ZQA
表記:	4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole
組成式:	C8 H9 N3 S
SMILES:	CCc1csc(n1)c1[NH]cnc1
InChi:	InChI=1S/C8H9N3S/c1-2-6-4-12-8(11-6)7-3-9-5-10-7/h3-5H,2H2,1H3,(H,9,10)
定義日:	2021-05-19
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole

ZQD

ZQD
表記:	3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
組成式:	C9 H14 N2 O3 S
SMILES:	CS(=O)(=O)N1CCCC1c1cc(C)on1
InChi:	InChI=1S/C9H14N2O3S/c1-7-6-8(10-14-7)9-4-3-5-11(9)15(2,12)13/h6,9H,3-5H2,1-2H3/t9-/m0/s1
定義日:	2021-05-19
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole

ZQG

ZQG
表記:	3-(1H-imidazol-2-yl)propan-1-amine
組成式:	C6 H11 N3
SMILES:	NCCCc1ncc[NH]1
InChi:	InChI=1S/C6H11N3/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2,(H,8,9)
定義日:	2021-05-19
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	3-(1H-imidazol-2-yl)propan-1-amine

V0A

V0A
表記:	(3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione
組成式:	C22 H27 N O5
SMILES:	C2(C)C1CC=C(C(O1)(C)OC2C(C)[C@H]=C(C)[C@H]=[C@H]/C(O)=C3/C(C=NC3=O)=O)C
InChi:	InChI=1S/C22H27NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10-11,13,15,18,20,24H,9H2,1-5H3/b8-6+,12-10+,19-16+/t13-,15+,18-,20-,22-/m1/s1
別名:	Tirandamycin C
定義日:	2020-06-09
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	(3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione

ZQJ

ZQJ
表記:	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
組成式:	C8 H11 N3 O
SMILES:	O=C1C=C2CNCCC2=NN1C
InChi:	InChI=1S/C8H11N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h4,9H,2-3,5H2,1H3
定義日:	2021-05-19
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one

ZQM

ZQM
表記:	N-{2-[(propan-2-yl)sulfanyl]phenyl}urea
組成式:	C10 H14 N2 O S
SMILES:	CC(C)Sc1ccccc1NC(N)=O
InChi:	InChI=1S/C10H14N2OS/c1-7(2)14-9-6-4-3-5-8(9)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)
定義日:	2021-05-19
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	N-{2-[(propan-2-yl)sulfanyl]phenyl}urea

V0Q

V0Q
表記:	[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol
組成式:	C13 H20 N2 O3 S
SMILES:	CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2
InChi:	InChI=1S/C13H20N2O3S/c1-2-14-7-9-15(10-8-14)19(17,18)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3
定義日:	2021-04-01
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol

V0T

V0T
表記:	1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol
組成式:	C12 H17 N O4 S
SMILES:	OCc1ccc(cc1)[S](=O)(=O)N2CCC(O)CC2
InChi:	InChI=1S/C12H17NO4S/c14-9-10-1-3-12(4-2-10)18(16,17)13-7-5-11(15)6-8-13/h1-4,11,14-15H,5-9H2
定義日:	2021-04-01
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol

V0W

V0W
表記:	1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
組成式:	C13 H20 N2 O2 S
SMILES:	CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2
InChi:	InChI=1S/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15/h4-7H,3,8-11H2,1-2H3
定義日:	2021-04-01
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane

V1E

V1E
表記:	~{N},~{N},4-trimethylbenzenesulfonamide
組成式:	C9 H13 N O2 S
SMILES:	CN(C)[S](=O)(=O)c1ccc(C)cc1
InChi:	InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3
定義日:	2021-04-06
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	~{N},~{N},4-trimethylbenzenesulfonamide

V1H

V1H
表記:	3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine
組成式:	C11 H15 N O3 S
SMILES:	COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2
InChi:	InChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12-7-10(8-12)15-2/h3-6,10H,7-8H2,1-2H3
定義日:	2021-04-06
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine

V1K

V1K
表記:	2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole
組成式:	C15 H13 Cl N2 O3 S
SMILES:	COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3
InChi:	InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3
定義日:	2021-04-06
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole

V1Q

V1Q
表記:	4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide
組成式:	C11 H13 N3 O2 S
SMILES:	Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1
InChi:	InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-14(2)12-11/h3-8H,1-2H3,(H,12,13)
定義日:	2021-04-06
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide

V2E

V2E
表記:	3-morpholin-4-yl-4-nitro-benzaldehyde
組成式:	C11 H12 N2 O4
SMILES:	[O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2
InChi:	InChI=1S/C11H12N2O4/c14-8-9-1-2-10(13(15)16)11(7-9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	3-morpholin-4-yl-4-nitro-benzaldehyde

V2K

V2K
表記:	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
組成式:	C16 H14 N2 O2
SMILES:	COc1ccc2n(c(C)nc2c1)c3ccc(C=O)cc3
InChi:	InChI=1S/C16H14N2O2/c1-11-17-15-9-14(20-2)7-8-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde

V2N

V2N
表記:	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
組成式:	C16 H14 N2 O2
SMILES:	COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1
InChi:	InChI=1S/C16H14N2O2/c1-11-17-15-8-7-14(20-2)9-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde

V2Q

V2Q
表記:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
組成式:	C12 H13 N O3
SMILES:	COC1CN(C1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde

V2T

V2T
表記:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
組成式:	C12 H11 N3 O2
SMILES:	Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1
InChi:	InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17)
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide

V2W

V2W
表記:	4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide
組成式:	C16 H15 N O3
SMILES:	COc1ccc(CNC(=O)c2ccc(C=O)cc2)cc1
InChi:	InChI=1S/C16H15NO3/c1-20-15-8-4-12(5-9-15)10-17-16(19)14-6-2-13(11-18)3-7-14/h2-9,11H,10H2,1H3,(H,17,19)
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide

V32

V32
表記:	4-morpholin-4-ylcarbonylbenzaldehyde
組成式:	C12 H13 N O3
SMILES:	O=Cc1ccc(cc1)C(=O)N2CCOCC2
InChi:	InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-morpholin-4-ylcarbonylbenzaldehyde

<430 431 432 433 434 435 436437438 439 440 441 442 443 444 445 >

224931

件を2024-09-11に公開中

PDB statistics

PDBj update info

Contact PDBj

numon