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XC8

XC8
Name:	4'-fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-2-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside
Formula:	C21 H21 F4 N O6
SMILES:	FC(F)(F)c1cccc(OC2OC(CO)C(O)C(O)C2NC(C)=O)c1c1ccc(F)cc1
InChi:	InChI=1S/C21H21F4NO6/c1-10(28)26-17-19(30)18(29)15(9-27)32-20(17)31-14-4-2-3-13(21(23,24)25)16(14)11-5-7-12(22)8-6-11/h2-8,15,17-20,27,29-30H,9H2,1H3,(H,26,28)/t15-,17-,18+,19-,20-/m1/s1
Definition date:	2023-10-30
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4'-fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-2-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside

WXQ

WXQ
Name:	N-{4-[4-amino-5-(4-methoxyphenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}prop-2-enamide
Formula:	C23 H21 N5 O2
SMILES:	C=CC(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(OC)cc1
InChi:	InChI=1S/C23H21N5O2/c1-4-18(29)27-16-9-5-15(6-10-16)21-19(14-7-11-17(30-3)12-8-14)20-22(24)25-13-26-23(20)28(21)2/h4-13H,1H2,2-3H3,(H,27,29)(H2,24,25,26)
Definition date:	2023-05-22
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-{4-[4-amino-5-(4-methoxyphenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}prop-2-enamide

WXW

WXW
Name:	(13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide
Formula:	C46 H54 N6 O7
SMILES:	CCOc1cccc2CNc3ccc(C[CH](NC(=O)[CH](Cc4ccccc4)NC(=O)[CH](NC(=O)CC5CCC(CC5)NC(=O)COc12)c6ccccc6)C(=O)NC)cc3
InChi:	InChI=1S/C46H54N6O7/c1-3-58-39-16-10-15-34-28-48-35-21-17-31(18-22-35)26-37(44(55)47-2)50-45(56)38(25-30-11-6-4-7-12-30)51-46(57)42(33-13-8-5-9-14-33)52-40(53)27-32-19-23-36(24-20-32)49-41(54)29-59-43(34)39/h4-18,21-22,32,36-38,42,48H,3,19-20,23-29H2,1-2H3,(H,47,55)(H,49,54)(H,50,56)(H,51,57)(H,52,53)/t32-,36-,37-,38+,42+/m0/s1
Synonyms:	4-O-BETA-METHYL-D-GLUCOPYRANOSYL CELLOBIONOLACTAM OXIME
Definition date:	2023-10-17
Last modified:	2024-02-09
Release date:	2024-02-14

WYR

WYR
Name:	N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide
Formula:	C34 H46 F N5 O7
SMILES:	Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)C(=O)NC(C)C
InChi:	InChI=1S/C34H46FN5O7/c1-20(2)16-27(31(43)38-26(18-24-14-15-36-30(24)42)29(41)33(45)37-21(3)4)39-32(44)28(17-22-10-12-25(35)13-11-22)40-34(46)47-19-23-8-6-5-7-9-23/h5-13,20-21,24,26-29,41H,14-19H2,1-4H3,(H,36,42)(H,37,45)(H,38,43)(H,39,44)(H,40,46)/t24-,26-,27-,28-,29+/m0/s1
Synonyms:	GSK3487016A
Definition date:	2023-10-17
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide

YSQ

YSQ
Name:	4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium)
Formula:	C29 H25 N7 O2
SMILES:	O=C(N/N=C/c1cc[n+](C)c2ccccc21)c1cccc(n1)C(=O)N/N=C/c1cc[n+](C)c2ccccc21
InChi:	InChI=1S/C29H23N7O2/c1-35-16-14-20(22-8-3-5-12-26(22)35)18-30-33-28(37)24-10-7-11-25(32-24)29(38)34-31-19-21-15-17-36(2)27-13-6-4-9-23(21)27/h3-19H,1-2H3/p+2
Definition date:	2023-02-17
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium)

XWH

XWH
Name:	4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine
Formula:	C9 H6 F3 N3
SMILES:	FC(F)(F)c1cc([NH]n1)c1ccncc1
InChi:	InChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h1-5H,(H,14,15)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine

ZFW

ZFW
Name:	4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine
Formula:	C25 H34 Cl N5 O7
SMILES:	CC(C)Oc1cc(c(C)cc1Nc1nc(N)c(Cl)cn1)C1CCN(CC1)C1OC(C(O)C(O)C1O)C(=O)O
InChi:	InChI=1S/C25H34ClN5O7/c1-11(2)37-17-9-14(12(3)8-16(17)29-25-28-10-15(26)22(27)30-25)13-4-6-31(7-5-13)23-20(34)18(32)19(33)21(38-23)24(35)36/h8-11,13,18-21,23,32-34H,4-7H2,1-3H3,(H,35,36)(H3,27,28,29,30)/t18-,19-,20+,21-,23+/m0/s1
Definition date:	2023-03-09
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine

XWZ

XWZ
Name:	5-bromopyridin-3-amine
Formula:	C5 H5 Br N2
SMILES:	Nc1cncc(Br)c1
InChi:	InChI=1S/C5H5BrN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	5-bromopyridin-3-amine

WJ5

WJ5
Name:	(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide
Formula:	C21 H23 Cl2 N3 O3 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)N2C[CH]3CN(C[CH]3C2)C(=O)NCc4ccc(Cl)cc4Cl
InChi:	InChI=1S/C21H23Cl2N3O3S/c1-14-2-6-19(7-3-14)30(28,29)26-12-16-10-25(11-17(16)13-26)21(27)24-9-15-4-5-18(22)8-20(15)23/h2-8,16-17H,9-13H2,1H3,(H,24,27)/t16-,17+
Synonyms:	1''-3'gc(etheno)ADPR
Definition date:	2023-10-05
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide

XXN

XXN
Name:	(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C8 H5 Cl2 N O2
SMILES:	Clc1ccc(Cl)c2c1NC(=O)C2O
InChi:	InChI=1S/C8H5Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2,7,12H,(H,11,13)/t7-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one

XZ6

XZ6
Name:	7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Formula:	C8 H9 N2 O2 S
SMILES:	Cc1csc2N=C(CO)CC(=O)[n]12
InChi:	InChI=1S/C8H9N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h4,11H,2-3H2,1H3
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one

XZE

XZE
Name:	(pyridin-2-yl)(quinolin-2-yl)methanone
Formula:	C15 H10 N2 O
SMILES:	O=C(c1ccc2ccccc2n1)c1ccccn1
InChi:	InChI=1S/C15H10N2O/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14/h1-10H
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(pyridin-2-yl)(quinolin-2-yl)methanone

XZI

XZI
Name:	N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide
Formula:	C14 H15 N O2
SMILES:	CN(C)C(=O)COc1ccc2ccccc2c1
InChi:	InChI=1S/C14H15NO2/c1-15(2)14(16)10-17-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide

XZO

XZO
Name:	1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
Formula:	C10 H7 Cl2 N O2
SMILES:	Clc1cc(Cl)cc(c1)N1C(=O)CCC1=O
InChi:	InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione

XZT

XZT
Name:	1-(2,4-difluorophenyl)pyrrolidine-2,5-dione
Formula:	C10 H7 F2 N O2
SMILES:	Fc1cc(F)c(cc1)N1C(=O)CCC1=O
InChi:	InChI=1S/C10H7F2NO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	1-(2,4-difluorophenyl)pyrrolidine-2,5-dione

XZX

XZX
Name:	(2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide
Formula:	C9 H9 Cl2 N O2
SMILES:	Clc1cc(NC(=O)C(C)O)cc(Cl)c1
InChi:	InChI=1S/C9H9Cl2NO2/c1-5(13)9(14)12-8-3-6(10)2-7(11)4-8/h2-5,13H,1H3,(H,12,14)/t5-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide

Y0C

Y0C
Name:	(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
Formula:	C9 H8 F N O S
SMILES:	O=C1NC(SC1)c1ccccc1F
InChi:	InChI=1S/C9H8FNOS/c10-7-4-2-1-3-6(7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)/t9-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one

Y0H

Y0H
Name:	3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine
Formula:	C10 H10 Cl N3
SMILES:	Cn1nc(cc1N)c1ccc(Cl)cc1
InChi:	InChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine

Y0L

Y0L
Name:	N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide
Formula:	C16 H15 N O2
SMILES:	O=C(NCc1cc2CCOc2cc1)c1ccccc1
InChi:	InChI=1S/C16H15NO2/c18-16(13-4-2-1-3-5-13)17-11-12-6-7-15-14(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide

Y0O

Y0O
Name:	5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid
Formula:	C15 H17 N O2
SMILES:	OC(=O)c1cc(C#CCC2CCCCC2)cnc1
InChi:	InChI=1S/C15H17NO2/c17-15(18)14-9-13(10-16-11-14)8-4-7-12-5-2-1-3-6-12/h9-12H,1-3,5-7H2,(H,17,18)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid

Y0S

Y0S
Name:	N-[(3-methylthiophen-2-yl)methyl]benzamide
Formula:	C13 H13 N O S
SMILES:	Cc1ccsc1CNC(=O)c1ccccc1
InChi:	InChI=1S/C13H13NOS/c1-10-7-8-16-12(10)9-14-13(15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-[(3-methylthiophen-2-yl)methyl]benzamide

Y0W

Y0W
Name:	2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole
Formula:	C12 H12 F3 N3
SMILES:	FC(F)(F)c1cc2nc([NH]c2cc1)C1CCNC1
InChi:	InChI=1S/C12H12F3N3/c13-12(14,15)8-1-2-9-10(5-8)18-11(17-9)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6H2,(H,17,18)/t7-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole

WN9

WN9
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-2-azanyl-3-methyl-butanoate
Formula:	C15 H23 N6 O8 P
SMILES:	CC(C)[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C15H23N6O8P/c1-6(2)8(16)15(24)29-30(25,26)27-3-7-10(22)11(23)14(28-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-8,10-11,14,22-23H,3,16H2,1-2H3,(H,25,26)(H2,17,18,19)/t7-,8+,10-,11-,14-/m1/s1
Synonyms:	Valyl adenylate
Definition date:	2023-10-11
Last modified:	2024-02-09
Release date:	2024-02-14
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})-2-azanyl-3-methyl-butanoate

ZL6

ZL6
Name:	2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid
Formula:	C28 H33 N3 O3
SMILES:	CCc1cc(cc(CC)c1Nc2cccc(CN3CCCOCC3)c2C(O)=O)c4ccncc4
InChi:	InChI=1S/C28H33N3O3/c1-3-20-17-24(22-9-11-29-12-10-22)18-21(4-2)27(20)30-25-8-5-7-23(26(25)28(32)33)19-31-13-6-15-34-16-14-31/h5,7-12,17-18,30H,3-4,6,13-16,19H2,1-2H3,(H,32,33)
Definition date:	2023-03-30
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid

Y1C

Y1C
Name:	4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one
Formula:	C6 H7 Br2 N3 O
SMILES:	O=C(C)CCn1nc(Br)c(Br)n1
InChi:	InChI=1S/C6H7Br2N3O/c1-4(12)2-3-11-9-5(7)6(8)10-11/h2-3H2,1H3
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one

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