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: 44195 results BIRD

2TV

2TV
Name:	(2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C11 H12 N2 O6 S
SMILES:	O=CC(NC=O)C1N=C(C(=COC(=O)C)CS1)C(=O)O
InChi:	InChI=1S/C11H12N2O6S/c1-6(16)19-3-7-4-20-10(8(2-14)12-5-15)13-9(7)11(17)18/h2-3,5,8,10H,4H2,1H3,(H,12,15)(H,17,18)/b7-3+/t8-,10-/m1/s1
Synonyms:	N-formyl 7-aminocephalosporanic acid, bound form
Definition date:	2014-01-30
Last modified:	2024-09-27
Release date:	2014-05-28
Identifier:	(2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

20H

20H
Name:	1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide
Formula:	C16 H20 Cl2 N2 O3 S
SMILES:	O=C(N1CCC(C(=O)NCCS)CC1)COc2ccc(Cl)cc2Cl
InChi:	InChI=1S/C16H20Cl2N2O3S/c17-12-1-2-14(13(18)9-12)23-10-15(21)20-6-3-11(4-7-20)16(22)19-5-8-24/h1-2,9,11,24H,3-8,10H2,(H,19,22)
Definition date:	2013-08-12
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide

2TY

2TY
Name:	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE
Formula:	C17 H18 N2 O4
SMILES:	O=C(O)C(N)Cc2cc(N=CCc1ccccc1)c(O)cc2O
InChi:	InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1
Definition date:	2005-07-07
Last modified:	2024-09-27
Identifier:	2-hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine

2U2

2U2
Name:	(2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid
Formula:	C19 H20 N6 O11 S
SMILES:	O=C(O)C(=NOCC(C=O)NC(=O)C(=NOCC1=CC(=O)C(O)=CN1O)/c2nc(sc2)N)CCC(=O)O
InChi:	InChI=1S/C19H20N6O11S/c20-19-22-12(8-37-19)16(24-36-7-10-3-13(27)14(28)4-25(10)34)17(31)21-9(5-26)6-35-23-11(18(32)33)1-2-15(29)30/h3-5,8-9,28,34H,1-2,6-7H2,(H2,20,22)(H,21,31)(H,29,30)(H,32,33)/b23-11+,24-16-/t9-/m1/s1
Definition date:	2014-02-04
Last modified:	2024-09-27
Release date:	2014-05-07
Identifier:	(2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid

2U3

2U3
Name:	(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide
Formula:	C16 H22 N6 O10 S2
SMILES:	O=S(=O)(O)ONC(C)(C)C(NC(=O)C(=NOCC1=CC(=O)C(O)=CN1O)/c2nc(sc2)N)CO
InChi:	InChI=1S/C16H22N6O10S2/c1-16(2,21-32-34(28,29)30)12(5-23)19-14(26)13(9-7-33-15(17)18-9)20-31-6-8-3-10(24)11(25)4-22(8)27/h3-4,7,12,21,23,25,27H,5-6H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29,30)/b20-13-/t12-/m1/s1
Definition date:	2014-02-04
Last modified:	2024-09-27
Release date:	2014-05-07
Identifier:	(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide

2U4

2U4
Name:	(4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid
Formula:	C25 H24 N6 O14 S
SMILES:	O=C(O)C(N2C(=O)c1cc(O)c(O)cc1C2=O)CC(=NOCC(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N)/C(=O)O
InChi:	InChI=1S/C25H24N6O14S/c1-25(2,23(42)43)45-30-17(13-8-46-24(26)28-13)18(35)27-9(6-32)7-44-29-12(21(38)39)5-14(22(40)41)31-19(36)10-3-15(33)16(34)4-11(10)20(31)37/h3-4,6,8-9,14,33-34H,5,7H2,1-2H3,(H2,26,28)(H,27,35)(H,38,39)(H,40,41)(H,42,43)/b29-12+,30-17-/t9-,14+/m1/s1
Definition date:	2014-02-04
Last modified:	2024-09-27
Release date:	2014-05-07
Identifier:	(4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid

2UC

2UC
Name:	1-[3-(2-oxoethyl)benzyl]guanidine
Formula:	C10 H13 N3 O2
SMILES:	O=CCc1cccc(c1)CNC(=[N@H])N
InChi:	InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13)
Definition date:	2014-02-07
Last modified:	2024-09-27
Release date:	2014-04-09
Identifier:	1-[3-(2-oxoethyl)benzyl]guanidine

2UE

2UE
Name:	1-[4-(2-oxoethyl)benzyl]guanidine
Formula:	C10 H13 N3 O
SMILES:	C(c1ccc(cc1)CNC(N)=[N@H])C=O
InChi:	InChI=1S/C10H13N3O/c11-10(12)13-7-9-3-1-8(2-4-9)5-6-14/h1-4,6H,5,7H2,(H4,11,12,13)
Definition date:	2015-06-22
Last modified:	2024-09-27
Release date:	2015-07-01
Identifier:	1-[4-(2-oxoethyl)benzyl]guanidine

2UH

2UH
Name:	N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)
Formula:	C16 H26 N6 O12 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(NCCCNC(=O)CC)NC1=O)C(O)C3O
InChi:	InChI=1S/C16H26N6O12P2/c1-2-9(23)17-4-3-5-18-16-20-13-10(14(26)21-16)19-7-22(13)15-12(25)11(24)8(33-15)6-32-36(30,31)34-35(27,28)29/h7-8,11-12,15,24-25H,2-6H2,1H3,(H,17,23)(H,30,31)(H2,27,28,29)(H2,18,20,21,26)/t8-,11-,12-,15-/m1/s1
Definition date:	2014-05-08
Last modified:	2024-09-27
Release date:	2014-05-28
Identifier:	N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)

2UJ

2UJ
Name:	N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)
Formula:	C16 H27 N6 O15 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n1cnc2c1NC(=NC2=O)NCCCNC(=O)CC)C(O)C3O
InChi:	InChI=1S/C16H27N6O15P3/c1-2-9(23)17-4-3-5-18-16-20-13-10(14(26)21-16)19-7-22(13)15-12(25)11(24)8(35-15)6-34-39(30,31)37-40(32,33)36-38(27,28)29/h7-8,11-12,15,24-25H,2-6H2,1H3,(H,17,23)(H,30,31)(H,32,33)(H2,27,28,29)(H2,18,20,21,26)/t8-,11-,12-,15-/m1/s1
Definition date:	2014-05-08
Last modified:	2024-09-27
Release date:	2014-05-28
Identifier:	N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)

2UK

2UK
Name:	5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine
Formula:	C16 H28 N7 O14 P3
SMILES:	O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n1cnc2c1NC(=NC2=O)NCCCNC(=O)CC)C(O)C3O
InChi:	InChI=1S/C16H28N7O14P3/c1-2-9(24)17-4-3-5-18-16-20-13-10(14(27)21-16)19-7-23(13)15-12(26)11(25)8(36-15)6-35-40(33,34)37-39(31,32)22-38(28,29)30/h7-8,11-12,15,25-26H,2-6H2,1H3,(H,17,24)(H,33,34)(H2,18,20,21,27)(H4,22,28,29,30,31,32)/t8-,11-,12-,15-/m1/s1
Definition date:	2014-05-08
Last modified:	2024-09-27
Release date:	2014-05-28
Identifier:	5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine

2UL

2UL
Name:	3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid
Formula:	C17 H19 B N2 O5
SMILES:	O=C(O)c1cccc(c1)CC(B(O)O)NC(=O)C(N)c2ccccc2
InChi:	InChI=1S/C17H19BN2O5/c19-15(12-6-2-1-3-7-12)16(21)20-14(18(24)25)10-11-5-4-8-13(9-11)17(22)23/h1-9,14-15,24-25H,10,19H2,(H,20,21)(H,22,23)/t14-,15+/m0/s1
Definition date:	2014-02-10
Last modified:	2024-09-27
Release date:	2015-05-20
Identifier:	3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid

2UQ

2UQ
Name:	N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide
Formula:	C13 H12 N4 O
SMILES:	O=C(c1cnc(nc1)C=[N@H])NCc2ccccc2
InChi:	InChI=1S/C13H12N4O/c14-6-12-15-8-11(9-16-12)13(18)17-7-10-4-2-1-3-5-10/h1-6,8-9,14H,7H2,(H,17,18)/b14-6+
Definition date:	2014-05-08
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	N-benzyl-2-[(E)-iminomethyl]pyrimidine-5-carboxamide

2V5

2V5
Name:	N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
Formula:	C29 H41 N7 O5 S
SMILES:	O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ccccc2)CCc3ccccc3)CCCONC(=[N@H])N
InChi:	InChI=1S/C29H41N7O5S/c1-35-17-19-36(20-18-35)29(38)33-26(13-8-21-41-34-28(30)31)27(37)32-24(15-14-23-9-4-2-5-10-23)16-22-42(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,32,37)(H,33,38)(H4,30,31,34)/t24-,26-/m0/s1
Definition date:	2014-05-09
Last modified:	2024-09-27
Release date:	2014-11-12
Identifier:	N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide

2V7

2V7
Name:	(1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
Formula:	C14 H16 O3
SMILES:	OC(C)C(O)c1ccc2c(c1)ccc(OC)c2
InChi:	InChI=1S/C14H16O3/c1-9(15)14(16)12-4-3-11-8-13(17-2)6-5-10(11)7-12/h3-9,14-16H,1-2H3/t9-,14+/m0/s1
Synonyms:	(6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol, bound form
Definition date:	2014-02-20
Last modified:	2024-09-27
Release date:	2014-03-05
Identifier:	(1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol

2VS

2VS
Name:	(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Formula:	C6 H6 O4
SMILES:	O=C(O)C(O)=CC=CC=O
InChi:	InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-
Definition date:	2014-02-26
Last modified:	2024-09-27
Release date:	2014-12-24
Identifier:	(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid

A1IMU

A1IMU
Name:	(2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide
Formula:	C27 H34 N6 O6
SMILES:	CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Nc4ccccc4)C3=O
InChi:	InChI=1S/C27H34N6O6/c1-28-25(37)22(34)20(15-17-11-12-29-23(17)35)31-24(36)21(14-16-9-10-16)33-13-5-8-19(26(33)38)32-27(39)30-18-6-3-2-4-7-18/h2-8,13,16-17,20-22,34H,9-12,14-15H2,1H3,(H,28,37)(H,29,35)(H,31,36)(H2,30,32,39)/t17-,20+,21?,22+/m1/s1
Definition date:	2024-08-28
Last modified:	2024-09-27
Release date:	2024-09-11
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide

2W7

2W7
Name:	N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide
Formula:	C19 H24 N2 O2 S
SMILES:	O=C(c1ccccc1S)NCC(=O)NC24CC3CC(CC(C2)C3)C4
InChi:	InChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22)/t12-,13+,14-,19-
Definition date:	2014-03-06
Last modified:	2024-09-27
Release date:	2014-11-19
Identifier:	N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide

A1IOV

A1IOV
Name:	7-[(3~{R},4~{R},6~{S})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
Formula:	C20 H32 N6 O5
SMILES:	CC(C)C[CH](N)C(=O)N1C[CH](O)C[C](C)(O)[CH](C1)n2cnc3N(C)C(=O)N(C)C(=O)c23
InChi:	InChI=1S/C20H32N6O5/c1-11(2)6-13(21)17(28)25-8-12(27)7-20(3,31)14(9-25)26-10-22-16-15(26)18(29)24(5)19(30)23(16)4/h10-14,27,31H,6-9,21H2,1-5H3/t12-,13-,14+,20+/m0/s1
Definition date:	2024-09-17
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	7-[(3~{R},4~{R},6~{S})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione

A1IOZ

A1IOZ
Name:	7-[(3~{S},4~{S},6~{R})-1-[3-(aminomethyl)phenyl]carbonyl-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
Formula:	C22 H28 N6 O5
SMILES:	CN1C(=O)N(C)c2ncn([CH]3CN(C[CH](O)C[C]3(C)O)C(=O)c4cccc(CN)c4)c2C1=O
InChi:	InChI=1S/C22H28N6O5/c1-22(33)8-15(29)10-27(19(30)14-6-4-5-13(7-14)9-23)11-16(22)28-12-24-18-17(28)20(31)26(3)21(32)25(18)2/h4-7,12,15-16,29,33H,8-11,23H2,1-3H3/t15-,16+,22+/m1/s1
Definition date:	2024-09-19
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	7-[(3~{S},4~{S},6~{R})-1-[3-(aminomethyl)phenyl]carbonyl-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione

2XG

2XG
Name:	3,4-difluorobenzenethiol
Formula:	C6 H4 F2 S
SMILES:	Fc1ccc(S)cc1F
InChi:	InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
Definition date:	2014-04-04
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	3,4-difluorobenzenethiol

2XH

2XH
Name:	naphthalene-1-thiol
Formula:	C10 H8 S
SMILES:	Sc2cccc1ccccc12
InChi:	InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
Definition date:	2014-04-07
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	naphthalene-1-thiol

2XI

2XI
Name:	(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide
Formula:	C24 H33 N3 O3
SMILES:	C[CH](O)C(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2ccc(cc2)C(C)(C)C
InChi:	InChI=1S/C24H33N3O3/c1-16(28)22(30)27(19-12-10-18(11-13-19)23(2,3)4)20(17-9-8-14-25-15-17)21(29)26-24(5,6)7/h8-16,20,28H,1-7H3,(H,26,29)/t16-,20-/m1/s1
Definition date:	2021-07-09
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide

2XO

2XO
Name:	1H-benzimidazol-2-ylmethanethiol
Formula:	C8 H8 N2 S
SMILES:	n2c1ccccc1nc2CS
InChi:	InChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
Definition date:	2014-04-08
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	1H-benzimidazol-2-ylmethanethiol

2XR

2XR
Name:	2-chloro-1-(1H-indol-3-yl)ethanone
Formula:	C10 H8 Cl N O
SMILES:	ClCC(=O)c2c1ccccc1nc2
InChi:	InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
Definition date:	2014-04-08
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	2-chloro-1-(1H-indol-3-yl)ethanone

<186 187 188 189 190 191 192193194 195 196 197 198 199 200 201 >

243083

數據於2025-10-15公開中

PDB statistics

PDBj update info

Contact PDBj

numon