Chemie Search results for query - 日本蛋白质结构数据库

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: 44216 results BIRD

YPZ

YPZ
Name:	3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine
Formula:	C15 H15 N3 O4
SMILES:	O=C2C=C(O)C(=N/Nc1ccccc1)C=C2CC(C(=O)O)N
InChi:	InChI=1S/C15H15N3O4/c16-11(15(21)22)6-9-7-12(14(20)8-13(9)19)18-17-10-4-2-1-3-5-10/h1-5,7-8,11,17,20H,6,16H2,(H,21,22)/b18-12-/t11-/m0/s1
Definition date:	2013-04-12
Last modified:	2024-09-27
Release date:	2013-04-24
Identifier:	3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine

S9U

S9U
Name:	[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C25 H44 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C25H43N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h15-21,24,31H,3-14H2,1-2H3,(H4-,26,27,28,29,30,32,33,34,35)/p+1/t17-,18+,19-,20-,21-,24-/m0/s1
Definition date:	2022-06-29
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

WRH

WRH
Name:	methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate
Formula:	C19 H33 N3 O6
SMILES:	CCCNC(=O)[CH](O)CC(=O)N[CH]([CH](C)CC)C(=O)N1CCC[CH]1C(=O)OC
InChi:	InChI=1S/C19H33N3O6/c1-5-9-20-17(25)14(23)11-15(24)21-16(12(3)6-2)18(26)22-10-7-8-13(22)19(27)28-4/h12-14,16,23H,5-11H2,1-4H3,(H,20,25)(H,21,24)/t12-,13-,14-,16-/m0/s1
Synonyms:	CA-074 methyl ester (bound)
Definition date:	2023-05-17
Last modified:	2024-09-27
Release date:	2023-07-05
Identifier:	methyl (2~{S})-1-[(2~{S},3~{S})-3-methyl-2-[[(3~{S})-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate

4IO

4IO
Name:	5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate
Formula:	C20 H12 Cl N3 O6 S
SMILES:	[O-][N+](=O)c1cc(ccc1)S(=O)(=O)n1ccc2cc(ccc21)C(=O)Oc1cc(Cl)cnc1
InChi:	InChI=1S/C20H12ClN3O6S/c21-15-9-17(12-22-11-15)30-20(25)14-4-5-19-13(8-14)6-7-23(19)31(28,29)18-3-1-2-16(10-18)24(26)27/h1-12H
Definition date:	2021-07-08
Last modified:	2024-09-27
Release date:	2021-09-29
Identifier:	5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate

YCT

YCT
Name:	2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate
Formula:	C17 H34 N3 O9 P
SMILES:	O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCOC(=O)C(N)CC(C)C
InChi:	InChI=1S/C17H34N3O9P/c1-11(2)9-12(18)16(24)28-8-7-19-13(21)5-6-20-15(23)14(22)17(3,4)10-29-30(25,26)27/h11-12,14,22H,5-10,18H2,1-4H3,(H,19,21)(H,20,23)(H2,25,26,27)/t12-,14-/m0/s1
Definition date:	2023-01-24
Last modified:	2024-09-27
Release date:	2023-06-21
Identifier:	2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate

UOT

UOT
Name:	4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
Formula:	C15 H11 Cl N2 O2
SMILES:	COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1
InChi:	InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3
Definition date:	2021-03-03
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde

ZSN

ZSN
Name:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
Formula:	C3 H7 N3 O3
SMILES:	O=C(N)CN(N)C(=O)O
InChi:	InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9)
Synonyms:	Aza-asparagine
Definition date:	2012-06-01
Last modified:	2024-09-27
Release date:	2013-06-26
Identifier:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid

ZA2

ZA2
Name:	[(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H10 B Cl N O4
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1Cl
InChi:	InChI=1S/C8H10BClNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1
Synonyms:	2-CHLOROBENZAMIDOMETHYLBORONIC ACID
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron

YCV

YCV
Name:	2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide
Formula:	C19 H19 N3 O4
SMILES:	COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23
InChi:	InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)
Definition date:	2021-02-22
Last modified:	2024-09-27
Release date:	2021-11-10
Identifier:	2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide

KK9

KK9
Name:	N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide
Formula:	C16 H16 Cl N O2
SMILES:	CCC(=O)Nc1ccc(C)c(Oc2ccc(Cl)cc2)c1
InChi:	InChI=1S/C16H16ClNO2/c1-3-16(19)18-13-7-4-11(2)15(10-13)20-14-8-5-12(17)6-9-14/h4-10H,3H2,1-2H3,(H,18,19)
Definition date:	2020-07-30
Last modified:	2024-09-27
Release date:	2021-02-03
Identifier:	~{N}-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide

S9W

S9W
Name:	~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
Formula:	C25 H30 Br N3 O3
SMILES:	Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1
InChi:	InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31)
Definition date:	2020-11-13
Last modified:	2024-09-27
Release date:	2021-06-30
Identifier:	~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide

A1H5U

A1H5U
Name:	(5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one
Formula:	C32 H33 Cl F2 N6 O4
SMILES:	CCC(=O)N1C[CH](C)N(C[CH]1C)C2=NC(=O)[N]3c4nc(c(Cl)cc24)c5c(F)ccc(F)c5OCCOc6ccnc(C(C)C)c36
InChi:	InChI=1S/C32H33ClF2N6O4/c1-6-24(42)39-14-18(5)40(15-17(39)4)30-19-13-20(33)27-25-21(34)7-8-22(35)29(25)45-12-11-44-23-9-10-36-26(16(2)3)28(23)41(31(19)37-27)32(43)38-30/h7-10,13,16-18H,6,11-12,14-15H2,1-5H3/t17-,18+/m1/s1
Synonyms:	HYDROXYETHYLAMINE BACE INHIBITOR
Definition date:	2024-03-07
Last modified:	2024-09-27
Release date:	2024-07-10

VI3

VI3
Name:	(2~{R})-2-azanyl-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]propanoic acid
Formula:	C3 H6 N O4 S
SMILES:	N[CH](C[S-](=O)=O)C(O)=O
InChi:	InChI=1S/C3H6NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1
Definition date:	2023-03-07
Last modified:	2024-09-27
Release date:	2023-03-15
Identifier:	(2~{R})-2-azanyl-3-sulfinato-propanoic acid

ML3

ML3
Name:	2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium
Formula:	C8 H19 N2 O2 S
SMILES:	O=C(O)C(N)CSCC[N+](C)(C)C
InChi:	InChI=1S/C8H18N2O2S/c1-10(2,3)4-5-13-6-7(9)8(11)12/h7H,4-6,9H2,1-3H3/p+1/t7-/m0/s1
Definition date:	2008-02-19
Last modified:	2024-09-27
Identifier:	2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium

NSF

NSF
Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C12 H15 I N4 O6
SMILES:	OC(=O)CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O
InChi:	InChI=1S/C12H15IN4O6/c13-6-1-16(12(22)15-11(6)21)2-9(18)17(3-10(19)20)8-5-23-4-7(8)14/h1,7-8H,2-5,14H2,(H,19,20)(H,15,21,22)/t7-,8-/m0/s1
Definition date:	2022-04-07
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

S9X

S9X
Name:	2-azanyl-2-butyl-hexanal
Formula:	C10 H21 N O2
SMILES:	CCCCC(N)(CCCC)C(O)=O
InChi:	InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13)
Definition date:	2022-12-15
Last modified:	2024-09-27
Release date:	2023-10-11
Identifier:	2-azanyl-2-butyl-hexanoic acid

ZA3

ZA3
Name:	TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON
Formula:	C8 H10 B N2 O6
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O
InChi:	InChI=1S/C8H10BN2O6/c12-8(10-5-9(13,14)15)6-3-1-2-4-7(6)11(16)17/h1-4,13-15H,5H2,(H,10,12)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron

ZA4

ZA4
Name:	[(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H10 B F N O4
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1F
InChi:	InChI=1S/C8H10BFNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron

KZG

KZG
Name:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}aceti c acid
Formula:	C14 H14 I N3 O4 S
SMILES:	NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(c(cc2)O)I
InChi:	InChI=1S/C14H14IN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1
Synonyms:	CHROMOPHORE (CYS-TYR-GLY)3-I
Definition date:	2019-01-28
Last modified:	2024-09-27
Release date:	2019-06-12
Identifier:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

ZA5

ZA5
Name:	[(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H9 B F2 N O4
SMILES:	O[B-](O)(O)CNC(=O)c1c(F)cccc1F
InChi:	InChI=1S/C8H9BF2NO4/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14,15)16/h1-3,14-16H,4H2,(H,12,13)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron

KKC

KKC
Name:	delta-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III)
Formula:	C37 H25 F4 Ir N5 O2
SMILES:	Fc1cc(F)c(c([Ir+3]c2cc(F)cc(F)c2c3ccccn3)c1)c4ccccn4.O=C5CCC(=O)N5Cc6ccc(nc6)c7ccccn7
InChi:	InChI=1S/C15H13N3O2.2C11H6F2N.Ir/c19-14-6-7-15(20)18(14)10-11-4-5-13(17-9-11)12-3-1-2-8-16-12
Definition date:	2022-09-23
Last modified:	2024-09-27
Release date:	2023-03-15

4IT

4IT
Name:	N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:	C23 H31 N5 O4
SMILES:	COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N
InChi:	InChI=1S/C23H31N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11-15,18,24,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/b24-12+/t14-,15-,18-/m0/s1
Definition date:	2021-07-09
Last modified:	2024-09-27
Release date:	2021-09-01
Identifier:	N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

UOX

UOX
Name:	3-(oxido-lambda~4~-selanyl)-L-alanine
Formula:	C3 H6 N O3 Se
SMILES:	O=C(O)C(N)C[SeH]=O
InChi:	InChI=1S/C3H6NO3Se/c4-2(1-8-7)3(5)6/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1
Definition date:	2013-06-13
Last modified:	2024-09-27
Identifier:	3-(oxido-lambda~4~-selanyl)-L-alanine

S9Z

S9Z
Name:	~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
Formula:	C25 H30 Br N3 O3
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3
InChi:	InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)
Definition date:	2020-11-13
Last modified:	2024-09-27
Release date:	2021-06-30
Identifier:	~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide

SPD

SPD
Name:	SPERMIDINE
Formula:	C7 H19 N3
SMILES:	NCCCNCCCCN
InChi:	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
Synonyms:	N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-(3-aminopropyl)butane-1,4-diamine

<119 120 121 122 123 124 125126127 128 129 130 131 132 133 134 >

243531

数据于2025-10-22公开中

PDB statistics

PDBj update info

Contact PDBj

numon