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1OG

1OG
Name:	7-alkylidenecephalosporin DCM-1-10, bound form
Formula:	C16 H21 N O9 S
SMILES:	O=S1(=O)C(C(=O)OC(C)(C)C)C(C=NC(=C(C1)COC(=O)C)C(=O)O)C=O
InChi:	InChI=1S/C16H21NO9S/c1-9(19)25-7-11-8-27(23,24)13(15(22)26-16(2,3)4)10(6-18)5-17-12(11)14(20)21/h5-6,10,13H,7-8H2,1-4H3,(H,20,21)/b12-11-,17-5-/t10-,13+/m0/s1
Synonyms:	(3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide
Definition date:	2013-04-11
Last modified:	2024-09-27
Release date:	2013-12-04
Identifier:	(3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide

RGI

RGI
Name:	METHYLCARBAMIC ACID
Formula:	C2 H5 N O2
SMILES:	O=C(O)NC
InChi:	InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)
Definition date:	2002-06-19
Last modified:	2024-09-27
Identifier:	methylcarbamic acid

1OL

1OL
Name:	(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
Formula:	C10 H21 N O3
SMILES:	O=C(O)C(C)CC(O)C(N)CC(C)C
InChi:	InChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
Synonyms:	Leu*Ala
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid

RGL

RGL
Name:	ARGINAL
Formula:	C6 H15 N4 O
SMILES:	O=CC(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/p+1/t5-/m0/s1
Definition date:	2010-05-18
Last modified:	2024-09-27
Identifier:	amino{[(4S)-4-amino-5-oxopentyl]amino}methaniminium

1OP

1OP
Name:	O-(5-hydroxypentyl)-L-tyrosine
Formula:	C14 H21 N O4
SMILES:	O=C(O)C(N)Cc1ccc(OCCCCCO)cc1
InChi:	InChI=1S/C14H21NO4/c15-13(14(17)18)10-11-4-6-12(7-5-11)19-9-3-1-2-8-16/h4-7,13,16H,1-3,8-10,15H2,(H,17,18)/t13-/m0/s1
Definition date:	2013-04-11
Last modified:	2024-09-27
Release date:	2013-06-12
Identifier:	O-(5-hydroxypentyl)-L-tyrosine

RGP

RGP
Name:	GAMMA-GLUTAMYL PHOSPHATE
Formula:	C5 H10 N O7 P
SMILES:	O=C(OP(=O)(O)O)CCC(C(=O)O)N
InChi:	InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m1/s1
Synonyms:	5-OXO-5-(PHOSPHONOOXY)-D-NORVALINE
Definition date:	2005-07-20
Last modified:	2024-09-27
Identifier:	5-oxo-5-(phosphonooxy)-D-norvaline

RH5

RH5
Name:	4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
Formula:	C21 H20 B N3 O3
SMILES:	NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4B(O)O3
InChi:	InChI=1S/C21H20BN3O3/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19/h1-9,11-12,19,26H,10,13H2,(H3,23,24)/t19-/m1/s1
Definition date:	2019-08-16
Last modified:	2024-09-27
Release date:	2019-09-25
Identifier:	4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide

1PA

1PA
Name:	4-(carboxymethyl)-L-phenylalanine
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CC(=O)O
InChi:	InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
Synonyms:	p-(carboxymethyl)phenylalanine
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-(carboxymethyl)-L-phenylalanine

RH6

RH6
Name:	(2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form
Formula:	C16 H19 N O2
SMILES:	CCN(CC)c1ccc2C=C(C=CC)C(=O)Oc2c1
InChi:	InChI=1S/C16H19NO2/c1-4-7-13-10-12-8-9-14(17(5-2)6-3)11-15(12)19-16(13)18/h4,7-11H,5-6H2,1-3H3/b7-4+
Definition date:	2022-06-23
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	7-(diethylamino)-3-[(1E)-prop-1-en-1-yl]-2H-1-benzopyran-2-one

1PN

1PN
Name:	prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
Formula:	C13 H17 N O5 S
SMILES:	O=C(OCC=C)C1=CSC(N1)C(C=O)C(OC(=O)C)C
InChi:	InChI=1S/C13H17NO5S/c1-4-5-18-13(17)11-7-20-12(14-11)10(6-15)8(2)19-9(3)16/h4,6-8,10,12,14H,1,5H2,2-3H3/t8-,10-,12+/m1/s1
Synonyms:	"(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE, Bound form"
Definition date:	1999-12-02
Last modified:	2024-09-27
Identifier:	prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate

RIB

RIB
Name:	alpha-D-ribofuranose
Formula:	C5 H10 O5
SMILES:	OC1C(OC(O)C1O)CO
InChi:	InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1
Synonyms:	alpha-D-ribose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	alpha-D-ribofuranose

1QI

1QI
Name:	(2R,4S,5S)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
Formula:	C15 H23 N O3
SMILES:	CC(C)[CH](N)[CH](O)C[CH](Cc1ccccc1)C(O)=O
InChi:	InChI=1S/C15H23NO3/c1-10(2)14(16)13(17)9-12(15(18)19)8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,16H2,1-2H3,(H,18,19)/t12-,13+,14+/m1/s1
Definition date:	2021-06-14
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	(2~{R},4~{S},5~{S})-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid

RIL

RIL
Name:	[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE
Formula:	C12 H23 O5 P
SMILES:	O=P(OCC1OC(OC1)(C)C)(O)CCCCC=C
InChi:	InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m0/s1
Synonyms:	O-[(R)-1,2,-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE
Definition date:	2003-10-16
Last modified:	2024-09-27
Identifier:	[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (S)-hex-5-en-1-ylphosphonate

1QL

1QL
Name:	(2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C16 H19 N3 O7 S2
SMILES:	O=CC(OC)(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)COC(=O)N
InChi:	InChI=1S/C16H19N3O7S2/c1-25-16(8-20,19-11(21)5-10-3-2-4-27-10)14-18-12(13(22)23)9(7-28-14)6-26-15(17)24/h2-4,8,14,18H,5-7H2,1H3,(H2,17,24)(H,19,21)(H,22,23)/t14-,16+/m1/s1
Synonyms:	Cefoxitin, bound form
Definition date:	2013-04-26
Last modified:	2024-09-27
Release date:	2018-09-12
Identifier:	(2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

RIP

RIP
Name:	beta-D-ribopyranose
Formula:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
Synonyms:	beta-D-ribose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	beta-D-ribopyranose

1QQ

1QQ
Name:	(3S)-3-methyl-2-oxopentanoic acid
Formula:	C6 H10 O3
SMILES:	O=C(C(=O)O)C(C)CC
InChi:	InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
Definition date:	2011-03-25
Last modified:	2024-09-27
Identifier:	(3S)-3-methyl-2-oxopentanoic acid

1QX

1QX
Name:	dodecyl hydrogen (S)-(3-azidopropyl)phosphonate
Formula:	C15 H32 N3 O3 P
SMILES:	[N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCC)O
InChi:	InChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h2-15H2,1H3,(H,19,20)
Definition date:	2013-05-01
Last modified:	2024-09-27
Release date:	2013-09-18
Identifier:	dodecyl hydrogen (S)-(3-azidopropyl)phosphonate

1QY

1QY
Name:	tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate
Formula:	C17 H36 N3 O3 P
SMILES:	[N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCCCC)O
InChi:	InChI=1S/C17H36N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-24(21,22)17-14-15-19-20-18/h2-17H2,1H3,(H,21,22)
Definition date:	2013-05-01
Last modified:	2024-09-27
Release date:	2013-09-18
Identifier:	tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate

1R1

1R1
Name:	hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate
Formula:	C19 H40 N3 O3 P
SMILES:	[N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCCCCCC)O
InChi:	InChI=1S/C19H40N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-26(23,24)19-16-17-21-22-20/h2-19H2,1H3,(H,23,24)
Definition date:	2013-05-02
Last modified:	2024-09-27
Release date:	2013-09-18
Identifier:	hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate

1R3

1R3
Name:	N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C21 H45 N2 O9 P S
SMILES:	O=C(NCCCS(O)(O)CCCCCCCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:	InChI=1S/C21H45N2O9PS/c1-4-5-6-7-8-9-10-15-34(30,31)16-11-13-22-18(24)12-14-23-20(26)19(25)21(2,3)17-32-33(27,28)29/h19,25,30-31H,4-17H2,1-3H3,(H,22,24)(H,23,26)(H2,27,28,29)/t19-/m0/s1
Definition date:	2013-05-02
Last modified:	2024-09-27
Release date:	2013-12-25
Identifier:	N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

RJA

RJA
Name:	Ratjadone A, bound form
Formula:	C28 H44 O6
SMILES:	O=C(O)CCCC(O)/C=C/C(=CC(C)CC(=CC=CC(O)C1OC(/C=C/C)C(C(O)C1)C)C)C
InChi:	InChI=1S/C28H44O6/c1-6-9-26-22(5)25(31)18-27(34-26)24(30)12-7-10-19(2)16-21(4)17-20(3)14-15-23(29)11-8-13-28(32)33/h6-7,9-10,12,14-15,17,21-27,29-31H,8,11,13,16,18H2,1-5H3,(H,32,33)/b9-6+,12-7+,15-14+,19-10+,20-17-/t21-,22+,23-,24-,25-,26+,27-/m1/s1
Definition date:	2012-10-11
Last modified:	2024-09-27
Release date:	2013-01-04
Identifier:	(1S,5R)-1,5-anhydro-5-[(1R,2E,4E,7R,8Z,10E,12R)-15-carboxy-1,12-dihydroxy-5,7,9-trimethylpentadeca-2,4,8,10-tetraen-1-yl]-2,4-dideoxy-2-methyl-1-[(1E)-prop-1-en-1-yl]-D-threo-pentitol

1RG

1RG
Name:	(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
Formula:	C22 H27 N3 O7 S
SMILES:	O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2=C(C(=O)O)NC(C2C)C(C=O)C(O)C)C3
InChi:	InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,23,25,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-/m1/s1
Synonyms:	ERTAPENEM, bound form PRE-ISOMERIZED
Definition date:	2009-10-19
Last modified:	2024-09-27
Identifier:	(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid

RJR

RJR
Name:	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
Formula:	C23 H37 N3 O5
SMILES:	O[CH]1C[CH](O)[CH](Cn2cc(CCCOCC34CC5CC(CC(C5)C3)C4)nn2)[CH](O)[CH]1O
InChi:	InChI=1S/C23H37N3O5/c27-19-7-20(28)22(30)21(29)18(19)12-26-11-17(24-25-26)2-1-3-31-13-23-8-14-4-15(9-23)6-16(5-14)10-23/h11,14-16,18-22,27-30H,1-10,12-13H2/t14-,15+,16-,18-,19-,20-,21+,22+,23-/m0/s1
Definition date:	2018-12-11
Last modified:	2024-09-27
Release date:	2019-03-27
Identifier:	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol

1S6

1S6
Name:	(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid
Formula:	C19 H21 N3 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C
InChi:	InChI=1S/C19H21N3O5S/c1-10-13(14(22-27-10)11-7-5-4-6-8-11)16(24)20-12(9-23)17-21-15(18(25)26)19(2,3)28-17/h4-9,12,15,17,21H,1-3H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
Synonyms:	Oxacillin, bound form
Definition date:	2013-05-15
Last modified:	2024-09-27
Release date:	2013-10-09
Identifier:	(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid

1S7

1S7
Name:	(2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C15 H16 N2 O5 S2
SMILES:	O=CC(OC)(NC(=O)Cc1sccc1)C2N=C(C(=O)O)C(=C)CS2
InChi:	InChI=1S/C15H16N2O5S2/c1-9-7-24-14(16-12(9)13(20)21)15(8-18,22-2)17-11(19)6-10-4-3-5-23-10/h3-5,8,14H,1,6-7H2,2H3,(H,17,19)(H,20,21)/t14-,15+/m1/s1
Synonyms:	Cefoxitin, bound form
Definition date:	2013-05-15
Last modified:	2024-09-27
Release date:	2014-10-29
Identifier:	(2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

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