Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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: 2013 results BIRD

R2V

R2V
Name:	5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine
Formula:	C17 H19 N7 O7 S
SMILES:	n1(cnc2c(N)ncnc12)C3OC(C(O)C3O)CNS(NC(c4cccc(c4)O)=O)(=O)=O
InChi:	InChI=1S/C17H19N7O7S/c18-14-11-15(20-6-19-14)24(7-21-11)17-13(27)12(26)10(31-17)5-22-32(29,30)23-16(28)8-2-1-3-9(25)4-8/h1-4,6-7,10,12-13,17,22,25-27H,5H2,(H,23,28)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
Definition date:	2020-01-28
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine

XT0

XT0
Name:	2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
Formula:	C21 H20 N4 O2
SMILES:	Oc1cc(Cn2cc(nn2)C3CCCC3)ccc1Oc4ccccc4C#N
InChi:	InChI=1S/C21H20N4O2/c22-12-17-7-3-4-8-20(17)27-21-10-9-15(11-19(21)26)13-25-14-18(23-24-25)16-5-1-2-6-16/h3-4,7-11,14,16,26H,1-2,5-6,13H2
Synonyms:	PT512
Definition date:	2017-01-10
Last modified:	2020-06-17
Release date:	2017-02-15
Identifier:	2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile

YTZ

YTZ
Name:	4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
Formula:	C9 H9 N3 O2 S2
SMILES:	O=S(=O)(Nc1nccs1)c2ccc(N)cc2
InChi:	InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
Synonyms:	Sulfathiazole
Definition date:	2011-10-14
Last modified:	2020-06-17
Identifier:	4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide

SAS

SAS
Name:	2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID
Formula:	C18 H14 N4 O5 S
SMILES:	O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3
InChi:	InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+
Synonyms:	SULFASALAZINE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2-hydroxy-5-{(E)-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl}benzoic acid

BFT

BFT
Name:	S-BENZOYLTHIAMINE O-MONOPHOSPHATE
Formula:	C19 H25 N4 O6 P S
SMILES:	O=P(O)(O)OCCC(SC(=O)c1ccccc1)C(N(C=O)Cc2cnc(nc2N)C)C
InChi:	InChI=1S/C19H25N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12-13,17H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/t13-,17+/m0/s1
Synonyms:	BENFOTIAMINE
Definition date:	2006-07-20
Last modified:	2020-06-17
Identifier:	2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1,2,4-trideoxy-3-S-(phenylcarbonyl)-5-O-phosphono-3-thio-D-erythro-pentitol

SU4

SU4
Name:	N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide
Formula:	C18 H21 N O4 S
SMILES:	O=S(=O)(N(CC(O)(c1ccccc1)C)C2CC2)c3ccc(O)cc3
InChi:	InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m0/s1
Synonyms:	HYDROXYBENZENESULFONAMIDE
Definition date:	2011-06-06
Last modified:	2020-06-17
Identifier:	N-cyclopropyl-4-hydroxy-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide

T27

T27
Name:	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
Formula:	C22 H18 N6
SMILES:	N#CC=Cc1cc(c(c(c1)C)Nc2nc(ncc2)Nc3ccc(C#N)cc3)C
InChi:	InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+
Synonyms:	Rilpivirine
Definition date:	2007-11-21
Last modified:	2020-06-17
Identifier:	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile

C8X

C8X
Name:	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
Formula:	C12 H14 O6
SMILES:	OCCOC(=O)c1ccc(cc1)C(=O)OCCO
InChi:	InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
Synonyms:	bis(2-hydroxyethyl) terephthalate
Definition date:	2019-04-16
Last modified:	2020-06-17
Release date:	2020-04-15
Identifier:	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate

TCK

TCK
Name:	N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
Formula:	C14 H21 Cl N2 O3 S
SMILES:	O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C
InChi:	InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1
Synonyms:	Tos-Lys-CH2Cl
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide

CEL

CEL
Name:	4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
Formula:	C17 H14 F3 N3 O2 S
SMILES:	O=S(=O)(c3ccc(n1nc(cc1c2ccc(cc2)C)C(F)(F)F)cc3)N
InChi:	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
Synonyms:	CELECOXIB
Definition date:	2003-03-20
Last modified:	2020-06-17
Identifier:	4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

TH7

TH7
Name:	2,4-dihydroxybenzenesulfenic acid
Formula:	C6 H6 O3 S
SMILES:	OSc1ccc(O)cc1O
InChi:	InChI=1S/C6H6O3S/c7-4-1-2-6(10-9)5(8)3-4/h1-3,7-9H
Synonyms:	4-HYDROXYSULFANYLBENZENE-1,3-DIOL
Definition date:	2009-12-22
Last modified:	2020-06-17
Identifier:	4-hydroxysulfanylbenzene-1,3-diol

TL2

TL2
Name:	2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL
Formula:	C20 H22 N4 O4
SMILES:	O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3
InChi:	InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17+,18+/m0/s1
Synonyms:	2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL
Definition date:	2004-12-08
Last modified:	2020-06-17
Identifier:	1,4:3,6-dianhydro-5-O-(3-carbamimidoylphenyl)-2-O-(4-carbamimidoylphenyl)-D-glucitol

TL3

TL3
Name:	2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL
Formula:	C20 H22 N4 O4
SMILES:	O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2ccc(C(=[N@H])N)cc2)C4OC3
InChi:	InChI=1S/C20H22N4O4/c21-19(22)11-1-5-13(6-2-11)27-15-9-25-18-16(10-26-17(15)18)28-14-7-3-12(4-8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1
Synonyms:	2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL
Definition date:	2004-12-08
Last modified:	2020-06-17
Identifier:	1,4:3,6-dianhydro-2,5-bis-O-(4-carbamimidoylphenyl)-D-glucitol

TL4

TL4
Name:	2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL
Formula:	C20 H22 N4 O4
SMILES:	O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3
InChi:	InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1
Synonyms:	2-O-(3'-AMIDINOPHENYL)-5-O-(4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL
Definition date:	2004-12-08
Last modified:	2020-06-17
Identifier:	1,4:3,6-dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol

TLD

TLD
Name:	4-methylbenzene-1,2-dithiol
Formula:	C7 H8 S2
SMILES:	Sc1ccc(cc1S)C
InChi:	InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
Synonyms:	Toluene-3,4-dithiol
Definition date:	2007-09-25
Last modified:	2020-06-17
Identifier:	4-methylbenzene-1,2-dithiol

TP3

TP3
Name:	4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE
Formula:	C17 H20 N2 O9 S
SMILES:	O=C(O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2
InChi:	InChI=1S/C17H20N2O9S/c20-14(21)8-7-12(16(23)24)18-15(22)10-3-5-11(6-4-10)29(27,28)19-9-1-2-13(19)17(25)26/h3-6,12-13H,1-2,7-9H2,(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t12-,13+/m0/s1
Synonyms:	SP-722
Definition date:	2000-06-13
Last modified:	2020-06-17
Identifier:	N-[(4-{[(2R)-2-carboxypyrrolidin-1-yl]sulfonyl}phenyl)carbonyl]-L-glutamic acid

TP4

TP4
Name:	N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID
Formula:	C20 H25 N3 O10 S
SMILES:	O=C(NCCC(=O)O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2
InChi:	InChI=1S/C20H25N3O10S/c24-16(25)8-7-14(20(30)31)22-18(28)12-3-5-13(6-4-12)34(32,33)23-11-1-2-15(23)19(29)21-10-9-17(26)27/h3-6,14-15H,1-2,7-11H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t14-,15+/m0/s1
Synonyms:	SP-876
Definition date:	2000-06-13
Last modified:	2020-06-17
Identifier:	1-[(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)sulfonyl]-D-prolyl-beta-alanine

TQ8

TQ8
Name:	N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
Formula:	C17 H18 Cl N O3 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CCl
InChi:	InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
Synonyms:	CAS329306
Definition date:	2010-11-17
Last modified:	2020-06-17
Identifier:	N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide

TRT

TRT
Name:	FRAGMENT OF TRITON X-100
Formula:	C21 H36 O4
SMILES:	O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC
InChi:	InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3
Synonyms:	1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE
Definition date:	2003-06-27
Last modified:	2020-06-17
Identifier:	1-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-4-(1,1,3,3-tetramethylbutyl)benzene

U32

U32
Name:	4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE
Formula:	C12 H15 N3 O2 S2
SMILES:	O=S(=O)(N)c2ccc(Nc1ncc(s1)C(C)C)cc2
InChi:	InChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)
Synonyms:	PNU-230032
Definition date:	2005-06-06
Last modified:	2020-06-17
Identifier:	4-{[5-(1-methylethyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

J71

J71
Name:	4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
Formula:	C12 H13 N5 O5 S
SMILES:	O=S(=O)(N)c1ccc(cc1)CNc2ncnc(OC)c2[N+]([O-])=O
InChi:	InChI=1S/C12H13N5O5S/c1-22-12-10(17(18)19)11(15-7-16-12)14-6-8-2-4-9(5-3-8)23(13,20)21/h2-5,7H,6H2,1H3,(H2,13,20,21)(H,14,15,16)
Synonyms:	4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
Definition date:	2010-04-22
Last modified:	2020-06-17
Identifier:	4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide

UDR

UDR
Name:	(E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate
Formula:	C27 H29 N3 O5 S
SMILES:	O=C(SC)c1c(OC)c(cc(c1)C(c3cc2c(OC(=O)N2C)c(c3)C)=C/CCCc4nnc(o4)C)C
InChi:	InChI=1S/C27H29N3O5S/c1-15-11-18(13-21(24(15)33-5)26(31)36-6)20(9-7-8-10-23-29-28-17(3)34-23)19-12-16(2)25-22(14-19)30(4)27(32)35-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+
Synonyms:	S-methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methox y-3-methylbenzenecarbothioate
Definition date:	2009-08-25
Last modified:	2020-06-17
Identifier:	S-methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methoxy-3-methylbenzenecarbothioate

9V5

9V5
Name:	4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene
Formula:	C12 H8 Cl N O4 S
SMILES:	[O-][N+](=O)c1cc(Cl)ccc1[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H
Synonyms:	BIS-TRIS BUFFER
Definition date:	2017-07-15
Last modified:	2020-06-17
Release date:	2017-10-25
Identifier:	4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene

42T

42T
Name:	3-{[(2,6-dichlorophenyl)carbamoyl]amino}-N-hydroxy-N'-phenyl-5-(trifluoromethyl)benzenecarboximidamide
Formula:	C21 H15 Cl2 F3 N4 O2
SMILES:	Clc3cccc(Cl)c3NC(=O)Nc2cc(C(=Nc1ccccc1)/NO)cc(c2)C(F)(F)F
InChi:	InChI=1S/C21H15Cl2F3N4O2/c22-16-7-4-8-17(23)18(16)29-20(31)28-15-10-12(9-13(11-15)21(24,25)26)19(30-32)27-14-5-2-1-3-6-14/h1-11,32H,(H,27,30)(H2,28,29,31)
Synonyms:	CBR-9379
Definition date:	2015-01-23
Last modified:	2020-06-17
Release date:	2015-07-22
Identifier:	3-{[(2,6-dichlorophenyl)carbamoyl]amino}-N-hydroxy-N'-phenyl-5-(trifluoromethyl)benzenecarboximidamide

478

478
Name:	{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Formula:	C25 H35 N3 O6 S
SMILES:	O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3
InChi:	InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
Synonyms:	Amprenavir
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(3S)-tetrahydrofuran-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

<19 20 21 22 23 24 252627 28 29 30 31 32 33 34 >

222415

건을2024-07-10부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon