Chemie Search results for query - Protein Data Bank Japan

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: 43884 results BIRD

QBZ

QBZ
Name:	(2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid
Formula:	C10 H13 N4 O6 S
SMILES:	C[C](Cn1ccnn1)([CH](N=CCC(O)=O)C(O)=O)[S-](=O)=O
InChi:	InChI=1S/C10H13N4O6S/c1-10(21(19)20,6-14-5-4-12-13-14)8(9(17)18)11-3-2-7(15)16/h3-5,8H,2,6H2,1H3,(H,15,16)(H,17,18)/q-1/b11-3+/t8-,10-/m0/s1
Synonyms:	Tazobactam imine intermediate
Definition date:	2020-06-04
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	(2~{S},3~{S})-3-methyl-2-[(~{E})-(3-oxidanyl-3-oxidanylidene-propylidene)amino]-3-sulfinato-4-(1,2,3-triazol-1-yl)butanoic acid

3Y0

3Y0
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate
Formula:	C28 H49 N5 O13 P2 S
SMILES:	O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OP(=O)(O)OCC4OC(S)C(OCCCCCCCCCCCCC)C4O
InChi:	InChI=1S/C28H49N5O13P2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-41-24-22(35)19(45-28(24)49)15-43-48(39,40)46-47(37,38)42-14-18-21(34)23(36)27(44-18)33-17-32-20-25(29)30-16-31-26(20)33/h16-19,21-24,27-28,34-36,49H,2-15H2,1H3,(H,37,38)(H,39,40)(H2,29,30,31)/t18-,19-,21-,22-,23-,24-,27-,28-/m1/s1
Definition date:	2014-12-09
Last modified:	2024-09-27
Release date:	2016-01-13
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-3-hydroxy-5-sulfanyl-4-(tridecyloxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

3Y2

3Y2
Name:	2-amino-4-chloro-N-(1-{[(2E)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide
Formula:	C16 H21 Cl N4 O2
SMILES:	O=C(NC1(C(=O)NCC=[N@H])CCCCC1)c2ccc(Cl)cc2N
InChi:	InChI=1S/C16H21ClN4O2/c17-11-4-5-12(13(19)10-11)14(22)21-16(6-2-1-3-7-16)15(23)20-9-8-18/h4-5,8,10,18H,1-3,6-7,9,19H2,(H,20,23)(H,21,22)/b18-8+
Definition date:	2014-12-09
Last modified:	2024-09-27
Release date:	2015-09-09
Identifier:	2-amino-4-chloro-N-(1-{[(2E)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide

QC4

QC4
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H14 F3 N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2F)F)O
InChi:	InChI=1S/C15H14F3N3O5/c1-5(22)12(19)14-20-8(15(26)21(14)4-9(23)24)3-6-2-7(16)13(25)11(18)10(6)17/h2-3,5,12,22,25H,4,19H2,1H3,(H,23,24)/b8-3-/t5-,12+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2019-10-11
Last modified:	2024-09-27
Release date:	2020-10-14
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid

QC7

QC7
Name:	(5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one
Formula:	C25 H44 O3
SMILES:	CC(C(C)CCC(C)=O)C3(C(C)C2C(CC1CC(CCC1(C)C2CC3)O)O)C
InChi:	InChI=1S/C25H44O3/c1-15(7-8-16(2)26)17(3)24(5)12-10-21-23(18(24)4)22(28)14-19-13-20(27)9-11-25(19,21)6/h15,17-23,27-28H,7-14H2,1-6H3/t15-,17-,18+,19+,20-,21+,22-,23+,24-,25+/m1/s1
Definition date:	2019-10-11
Last modified:	2024-09-27
Release date:	2020-02-19
Identifier:	(5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one

QC9

QC9
Name:	(2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid
Formula:	C6 H14 O7 S
SMILES:	OCC[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O
InChi:	InChI=1S/C6H14O7S/c7-2-1-4(8)6(10)5(9)3-14(11,12)13/h4-10H,1-3H2,(H,11,12,13)/t4-,5-,6-/m0/s1
Definition date:	2022-10-25
Last modified:	2024-09-27
Release date:	2023-01-18
Identifier:	(2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid

QCA

QCA
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 N4 O7
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(N(=O)=O)c(cc2)O
InChi:	InChI=1S/C15H16N4O7/c1-7(20)13(16)14-17-9(15(24)18(14)6-12(22)23)4-8-2-3-11(21)10(5-8)19(25)26/h2-5,7,13,20-21H,6,16H2,1H3,(H,22,23)/b9-4-/t7-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2019-10-11
Last modified:	2024-09-27
Release date:	2020-10-14
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

QCD

QCD
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl }acetic acid
Formula:	C16 H19 N3 O6
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(OC)c(cc2)O
InChi:	InChI=1S/C16H19N3O6/c1-8(20)14(17)15-18-10(16(24)19(15)7-13(22)23)5-9-3-4-11(21)12(6-9)25-2/h3-6,8,14,20-21H,7,17H2,1-2H3,(H,22,23)/b10-5-/t8-,14+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2019-10-11
Last modified:	2024-09-27
Release date:	2020-10-14
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

QCI

QCI
Name:	L-2-Aminoglutarimide
Formula:	C5 H8 N2 O2
SMILES:	N[CH]1CCC(=O)NC1=O
InChi:	InChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)/t3-/m0/s1
Synonyms:	(3S)-3-azanylpiperidine-2,6-dione
Definition date:	2022-10-25
Last modified:	2024-09-27
Release date:	2023-01-11
Identifier:	(3~{S})-3-azanylpiperidine-2,6-dione

QCL

QCL
Name:	8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde
Formula:	C16 H20 N2 O3
SMILES:	CCC(CC)COc1cc(nc2c(N)cccc12)C(O)=O
InChi:	InChI=1S/C16H20N2O3/c1-3-10(4-2)9-21-14-8-13(16(19)20)18-15-11(14)6-5-7-12(15)17/h5-8,10H,3-4,9,17H2,1-2H3,(H,19,20)
Definition date:	2016-06-01
Last modified:	2024-09-27
Release date:	2017-06-21
Identifier:	8-azanyl-4-(2-ethylbutoxy)quinoline-2-carboxylic acid

QCN

QCN
Name:	(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal
Formula:	C13 H19 N O3
SMILES:	CC(C)(C)c1cc(C[CH](N)C(O)=O)ccc1O
InChi:	InChI=1S/C13H19NO3/c1-13(2,3)9-6-8(4-5-11(9)15)7-10(14)12(16)17/h4-6,10,15H,7,14H2,1-3H3,(H,16,17)/t10-/m0/s1
Definition date:	2020-06-05
Last modified:	2024-09-27
Release date:	2021-06-30
Identifier:	(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanoic acid

3YM

3YM
Name:	3-methoxy-L-tyrosine
Formula:	C10 H13 N O4
SMILES:	O=C(O)C(N)Cc1cc(OC)c(O)cc1
InChi:	InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
Definition date:	2012-10-29
Last modified:	2024-09-27
Release date:	2013-10-30
Identifier:	3-methoxy-L-tyrosine

QCS

QCS
Name:	S-carbamoyl-L-cysteine
Formula:	C4 H8 N2 O3 S
SMILES:	O=C(SCC(C(=O)O)N)N
InChi:	InChI=1S/C4H8N2O3S/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1
Definition date:	2013-10-21
Last modified:	2024-09-27
Release date:	2013-12-18
Identifier:	S-carbamoyl-L-cysteine

QDD

QDD
Name:	2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid
Formula:	C12 H10 N2 O4
SMILES:	Nc1cccc2c(CC(O)=O)cc(nc12)C(O)=O
InChi:	InChI=1S/C12H10N2O4/c13-8-3-1-2-7-6(5-10(15)16)4-9(12(17)18)14-11(7)8/h1-4H,5,13H2,(H,15,16)(H,17,18)
Definition date:	2018-10-24
Last modified:	2024-09-27
Release date:	2019-09-18
Identifier:	8-azanyl-4-(2-hydroxy-2-oxoethyl)quinoline-2-carboxylic acid

3ZH

3ZH
Name:	11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid
Formula:	C31 H51 N3 O4
SMILES:	O=C(O)C(N)CC1=CN(CCCCCCCCCCC(=O)O)CN1CCCCCCCCc2ccccc2
InChi:	InChI=1S/C31H51N3O4/c32-29(31(37)38)24-28-25-33(22-16-9-5-2-1-3-8-15-21-30(35)36)26-34(28)23-17-10-6-4-7-12-18-27-19-13-11-14-20-27/h11,13-14,19-20,25,29H,1-10,12,15-18,21-24,26,32H2,(H,35,36)(H,37,38)/t29-/m0/s1
Definition date:	2014-12-12
Last modified:	2024-09-27
Release date:	2015-07-29
Identifier:	11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid

3ZL

3ZL
Name:	N~6~-[(1Z)-4-amino-3-oxopenta-1,4-dien-1-yl]-L-lysine
Formula:	C11 H19 N3 O3
SMILES:	O=C(O)C(N)CCCCN/C=CC(=O)C(=C)/N
InChi:	InChI=1S/C11H19N3O3/c1-8(12)10(15)5-7-14-6-3-2-4-9(13)11(16)17/h5,7,9,14H,1-4,6,12-13H2,(H,16,17)/b7-5-/t9-/m0/s1
Definition date:	2014-12-15
Last modified:	2024-09-27
Release date:	2015-01-14
Identifier:	N~6~-[(1Z)-4-amino-3-oxopenta-1,4-dien-1-yl]-L-lysine

QDO

QDO
Name:	2,3-bis(bromomethyl)quinoxaline 1,4-dioxide
Formula:	C10 H8 Br2 N2 O2
SMILES:	[O-][n+]2c1ccccc1[n+]([O-])c(c2CBr)CBr
InChi:	InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2
Synonyms:	conoidin A
Definition date:	2013-05-31
Last modified:	2024-09-27
Release date:	2013-07-31
Identifier:	2,3-bis(bromomethyl)quinoxaline 1,4-dioxide

3ZQ

3ZQ
Name:	(1S,2S)-cyclohexane-1,2-diol
Formula:	C6 H12 O2
SMILES:	OC1CCCCC1O
InChi:	InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m0/s1
Definition date:	2014-12-18
Last modified:	2024-09-27
Release date:	2015-07-15
Identifier:	(1S,2S)-cyclohexane-1,2-diol

3ZR

3ZR
Name:	diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate
Formula:	C28 H39 Cl N3 O8 P
SMILES:	O=C1N=CC=C1CC(NC(=O)C(NC(=O)OCc2cccc(Cl)c2)CC3CCCCC3)C(O)P(=O)(OCC)OCC
InChi:	InChI=1S/C28H39ClN3O8P/c1-3-39-41(37,40-4-2)27(35)24(17-21-13-14-30-25(21)33)31-26(34)23(16-19-9-6-5-7-10-19)32-28(36)38-18-20-11-8-12-22(29)15-20/h8,11-15,19,23-24,27,35H,3-7,9-10,16-18H2,1-2H3,(H,31,34)(H,32,36)/t23-,24-,27?/m0/s1
Definition date:	2014-12-18
Last modified:	2024-09-27
Release date:	2015-03-25
Identifier:	diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate

QE8

QE8
Name:	(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol
Formula:	C14 H26 O9
SMILES:	OC[CH]1C[CH](OC[CH]2[CH](O)C[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C14H26O9/c15-3-5-1-9(13(21)14(22)10(5)18)23-4-6-7(16)2-8(17)12(20)11(6)19/h5-22H,1-4H2/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14+/m1/s1
Definition date:	2020-06-10
Last modified:	2024-09-27
Release date:	2021-04-28
Identifier:	(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol

40A

40A
Name:	N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
Formula:	C12 H17 N7 O3
SMILES:	O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC(N)C
InChi:	InChI=1S/C12H17N7O3/c1-7(13)2-18(4-9(21)22)8(20)3-19-6-17-10-11(14)15-5-16-12(10)19/h5-7H,2-4,13H2,1H3,(H,21,22)(H2,14,15,16)/t7-/m0/s1
Definition date:	2010-04-26
Last modified:	2024-09-27
Identifier:	N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

40C

40C
Name:	N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
Formula:	C11 H17 N5 O4
SMILES:	O=C(N(CC(=O)O)CC(N)C)CN1C=CC(=NC1=O)N
InChi:	InChI=1S/C11H17N5O4/c1-7(12)4-16(6-10(18)19)9(17)5-15-3-2-8(13)14-11(15)20/h2-3,7H,4-6,12H2,1H3,(H,18,19)(H2,13,14,20)/t7-/m0/s1
Definition date:	2010-04-26
Last modified:	2024-09-27
Identifier:	N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine

40G

40G
Name:	N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
Formula:	C12 H17 N7 O4
SMILES:	O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC(N)C
InChi:	InChI=1S/C12H17N7O4/c1-6(13)2-18(4-8(21)22)7(20)3-19-5-15-9-10(19)16-12(14)17-11(9)23/h5-6H,2-4,13H2,1H3,(H,21,22)(H3,14,16,17,23)/t6-/m0/s1
Definition date:	2010-04-26
Last modified:	2024-09-27
Identifier:	N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine

40I

40I
Name:	N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
Formula:	C24 H36 N4 O6
SMILES:	CC(C)C[CH](NC(=O)[CH](NC(=O)c1occc1)C(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O
InChi:	InChI=1S/C24H36N4O6/c1-14(2)11-18(22(31)26-17(13-29)12-16-7-5-9-25-21(16)30)27-24(33)20(15(3)4)28-23(32)19-8-6-10-34-19/h6,8,10,13-18,20H,5,7,9,11-12H2,1-4H3,(H,25,30)(H,26,31)(H,27,33)(H,28,32)/t16-,17-,18-,20-/m0/s1
Definition date:	2022-02-01
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

40M

40M
Name:	N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide
Formula:	C26 H24 Cl2 N4 O3
SMILES:	O=C(Nc1c(c(ccc1)C)Nc3ncc2cc(ccc2n3)c4c(c(cc(c4Cl)OC)OC)Cl)CC
InChi:	InChI=1S/C26H24Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h6-13H,5H2,1-4H3,(H,30,33)(H,29,31,32)
Synonyms:	BLU9931 bound form
Definition date:	2015-01-05
Last modified:	2024-09-27
Release date:	2015-04-01
Identifier:	N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide

<138 139 140 141 142 143 144145146 147 148 149 150 151 152 153 >

238582

PDB entries from 2025-07-09

PDB statistics

PDBj update info

Contact PDBj

numon