Chemie Search results for query - 日本蛋白質結構資料庫

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: 39984 results BIRD

9ZV

9ZV
Name:	3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid
Formula:	C20 H16 N4 O3
SMILES:	C(c1ccccc1)C3=NN4C(CCC(=O)O)=Nc2ccccc2C4=NC3=O
InChi:	InChI=1S/C20H16N4O3/c25-18(26)11-10-17-21-15-9-5-4-8-14(15)19-22-20(27)16(23-24(17)19)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,25,26)
Definition date:	2017-06-30
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid

A0S

A0S
Name:	(5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Formula:	C21 H16 Br F N2 O3
SMILES:	c14c(C(N(CC(=O)N1)C(c2ccc(Br)o2)=O)c3ccc(cc3)F)cc(cc4)C
InChi:	InChI=1S/C21H16BrFN2O3/c1-12-2-7-16-15(10-12)20(13-3-5-14(23)6-4-13)25(11-19(26)24-16)21(27)17-8-9-18(22)28-17/h2-10,20H,11H2,1H3,(H,24,26)/t20-/m1/s1
Definition date:	2017-07-05
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	(5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one

A4M

A4M
Name:	[3-(6-amino-2-methyl-9H-purin-9-yl)azetidin-1-yl]{5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methyl-1H-pyrazol-3-yl}methanone
Formula:	C26 H38 N10 O
SMILES:	c21c(nc(nc1n(cn2)C6CN(C(c5cc(CN4CCN(C3CCCCCC3)CC4)n(C)n5)=O)C6)C)N
InChi:	InChI=1S/C26H38N10O/c1-18-29-24(27)23-25(30-18)36(17-28-23)21-15-35(16-21)26(37)22-13-20(32(2)31-22)14-33-9-11-34(12-10-33)19-7-5-3-4-6-8-19/h13,17,19,21H,3-12,14-16H2,1-2H3,(H2,27,29,30)
Definition date:	2017-07-06
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	[3-(6-amino-2-methyl-9H-purin-9-yl)azetidin-1-yl]{5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methyl-1H-pyrazol-3-yl}methanone

1VQ

1VQ
Name:	2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate
Formula:	C6 H10 N4 O5 S
SMILES:	[O-][N+](=O)c1cnc(n1CCOS(=O)(=O)N)C
InChi:	InChI=1S/C6H10N4O5S/c1-5-8-4-6(10(11)12)9(5)2-3-15-16(7,13)14/h4H,2-3H2,1H3,(H2,7,13,14)
Definition date:	2013-06-21
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate

9GY

9GY
Name:	3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide
Formula:	C24 H23 N3 O4
SMILES:	CNC(=O)c1cccc(c1)c3cc2N(CC(N(c2cc3)C(=O)C)C)C(=O)c4ccco4
InChi:	InChI=1S/C24H23N3O4/c1-15-14-26(24(30)22-8-5-11-31-22)21-13-18(9-10-20(21)27(15)16(2)28)17-6-4-7-19(12-17)23(29)25-3/h4-13,15H,14H2,1-3H3,(H,25,29)/t15-/m0/s1
Definition date:	2017-05-10
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide

OUY

OUY
Name:	methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate
Formula:	C20 H18 F2 N4 O5
SMILES:	COC(=O)CCc1cnc2N(O)C(=O)C(=C(N)c2c1)C(=O)NCc3ccc(F)cc3F
InChi:	InChI=1S/C20H18F2N4O5/c1-31-15(27)5-2-10-6-13-17(23)16(20(29)26(30)18(13)24-8-10)19(28)25-9-11-3-4-12(21)7-14(11)22/h3-4,6-8,30H,2,5,9,23H2,1H3,(H,25,28)
Definition date:	2016-12-09
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate

6RX

6RX
Name:	(5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione
Formula:	C18 H17 N3 O4
SMILES:	CCN1C(=O)NC(=O)C2=C1NC3=C([CH]2c4ccc(C)cc4)C(=O)OC3
InChi:	InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)/t12-/m1/s1
Definition date:	2016-06-09
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	(5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione

6YA

6YA
Name:	3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one
Formula:	C21 H20 Cl F3 N4 O3 S
SMILES:	C[S](=O)(=O)CCCn1c(CN2C(=O)N(CC(F)(F)F)c3ccncc23)cc4cc(Cl)ccc14
InChi:	InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3
Definition date:	2016-07-22
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one

73Z

73Z
Name:	2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide
Formula:	C24 H29 N3 O3
SMILES:	Cc1cn(c2CC(C)(C)CC(=O)c12)c3ccc(C(N)=O)c(NC4CCC(=O)CC4)c3
InChi:	InChI=1S/C24H29N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,26H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)
Definition date:	2016-08-22
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide

7LL

7LL
Name:	2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
Formula:	C18 H14 N2 O3
SMILES:	c3(C(=O)NN=[C@H]c1c(O)ccc2c1cccc2)ccccc3O
InChi:	InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11-
Definition date:	2016-11-11
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide

SOY

SOY
Name:	OXACILLIN-ACYLATED SERINE
Formula:	C22 H26 N4 O8 S
SMILES:	O=C(NC(C(=O)OCC(C(=O)O)N)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C
InChi:	InChI=1S/C22H26N4O8S/c1-10-13(14(26-34-10)11-7-5-4-6-8-11)17(27)24-15(21(32)33-9-12(23)19(28)29)18-25-16(20(30)31)22(2,3)35-18/h4-8,12,15-16,18,25H,9,23H2,1-3H3,(H,24,27)(H,28,29)(H,30,31)/t12-,15-,16-,18+/m0/s1
Definition date:	2006-10-19
Last modified:	2017-07-25
Identifier:	(2R,4S)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

MJM

MJM
Name:	(4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one
Formula:	C22 H21 N O2
SMILES:	CC1=C(C(=O)[CH]2CCCCC2=N1)c3ccc(Oc4ccccc4)cc3
InChi:	InChI=1S/C22H21NO2/c1-15-21(22(24)19-9-5-6-10-20(19)23-15)16-11-13-18(14-12-16)25-17-7-3-2-4-8-17/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3/t19-/m0/s1
Definition date:	2016-01-14
Last modified:	2017-07-24
Release date:	2017-06-14
Identifier:	2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydro-4~{a}~{H}-quinolin-4-one

RU2

RU2
Name:	pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium
Formula:	C H10 O6 Ru
SMILES:	[OH2+][Ru]([OH2+])([OH2+])([OH2+])([OH2+])C#[O+]
InChi:	InChI=1S/CO.5H2O.Ru/c1-2
Definition date:	2017-06-27
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium

9Q8

9Q8
Name:	tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium
Formula:	C3 H3 O6 Ru
SMILES:	O[Ru](O)(O)(C#[O+])(C#[O+])C#[O+]
InChi:	InChI=1S/3CO.3H2O.Ru/c3*1-2
Definition date:	2017-06-26
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium

9QB

9QB
Name:	chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium
Formula:	C3 H4 Cl O5 Ru
SMILES:	[OH2+][Ru]([OH2+])(Cl)(C#[O+])(C#[O+])C#[O+]
InChi:	InChI=1S/3CO.ClH.2H2O.Ru/c3*1-2
Definition date:	2017-06-27
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium

C5N

C5N
Name:	~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
Formula:	C33 H40 N8 O2
SMILES:	CCc1cccc(CC)c1NC(=O)c2nn(C)c3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(C)CC6)nc34
InChi:	InChI=1S/C33H40N8O2/c1-6-21-9-8-10-22(7-2)28(21)36-32(42)30-25-13-11-23-20-34-33(37-29(23)31(25)40(4)38-30)35-26-14-12-24(19-27(26)43-5)41-17-15-39(3)16-18-41/h8-10,12,14,19-20H,6-7,11,13,15-18H2,1-5H3,(H,36,42)(H,34,35,37)
Definition date:	2016-12-22
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide

8QN

8QN
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate
Formula:	C14 H21 N6 O9 P
SMILES:	C[CH](O)[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C14H21N6O9P/c1-5(21)7(15)14(24)29-30(25,26)27-2-6-9(22)10(23)13(28-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-7,9-10,13,21-23H,2,15H2,1H3,(H,25,26)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1
Definition date:	2017-02-27
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate

8VE

8VE
Name:	(3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid
Formula:	C8 H11 N3 O4
SMILES:	CN1N=C([CH]2[CH]1CN[CH]2C(O)=O)C(O)=O
InChi:	InChI=1S/C8H11N3O4/c1-11-3-2-9-5(7(12)13)4(3)6(10-11)8(14)15/h3-5,9H,2H2,1H3,(H,12,13)(H,14,15)/t3-,4-,5-/m0/s1
Definition date:	2017-03-10
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid

8VN

8VN
Name:	(3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid
Formula:	C7 H8 N2 O5
SMILES:	OC(=O)[CH]1NC[CH]2ON=C([CH]12)C(O)=O
InChi:	InChI=1S/C7H8N2O5/c10-6(11)4-3-2(1-8-4)14-9-5(3)7(12)13/h2-4,8H,1H2,(H,10,11)(H,12,13)/t2-,3-,4-/m0/s1
Definition date:	2017-03-13
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid

8WA

8WA
Name:	N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N~1~-methylethane-1,2-diamine
Formula:	C18 H19 Cl3 N6
SMILES:	Clc1ccc2c(n1)nc(n2)N(C)CCNC3c4c(NCC3)c(cc(c4)Cl)Cl
InChi:	InChI=1S/C18H19Cl3N6/c1-27(18-24-14-2-3-15(21)25-17(14)26-18)7-6-22-13-4-5-23-16-11(13)8-10(19)9-12(16)20/h2-3,8-9,13,22-23H,4-7H2,1H3,(H,24,25,26)/t13-/m1/s1
Definition date:	2017-03-09
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N~1~-methylethane-1,2-diamine

8WQ

8WQ
Name:	(2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid
Formula:	C7 H9 N O6
SMILES:	O[CH]1CN[CH]([CH]1C(=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C7H9NO6/c9-2-1-8-4(6(11)12)3(2)5(10)7(13)14/h2-4,8-9H,1H2,(H,11,12)(H,13,14)/t2-,3-,4-/m0/s1
Definition date:	2017-03-17
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid

90A

90A
Name:	2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid
Formula:	C13 H25 N O7
SMILES:	C(NC(C)=O)COCCOCCOCCOCCC(O)=O
InChi:	InChI=1S/C13H25NO7/c1-12(15)14-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
Definition date:	2017-03-24
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid

90G

90G
Name:	N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide
Formula:	C11 H10 Cl N3 O S
SMILES:	O=C(CS)Nc1cc(nn1)c2ccc(cc2)Cl
InChi:	InChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)
Definition date:	2017-03-24
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide

90J

90J
Name:	N-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
Formula:	C11 H10 F N3 O S
SMILES:	c2c(c1ccc(F)cc1)c(nn2)NC(=O)CS
InChi:	InChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)9-5-13-15-11(9)14-10(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)
Definition date:	2017-03-24
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	N-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide

90M

90M
Name:	N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide
Formula:	C12 H12 F N3 O S
SMILES:	n2c(c(c(c1ccc(cc1)F)n2)C)NC(=O)CS
InChi:	InChI=1S/C12H12FN3OS/c1-7-11(8-2-4-9(13)5-3-8)15-16-12(7)14-10(17)6-18/h2-5,18H,6H2,1H3,(H2,14,15,16,17)
Definition date:	2017-03-24
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide

<948 949 950 951 952 953 954955956 957 958 959 960 961 962 963 >

224004

數據於2024-08-21公開中

PDB statistics

PDBj update info

Contact PDBj

numon