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: 35041 results BIRD

RL2

RL2
Name:	N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
Formula:	C19 H28 N2 O5
SMILES:	O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CCc1ccccc1
InChi:	InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16-/m0/s1
Synonyms:	WRR-112
Definition date:	2000-05-03
Last modified:	2024-09-27
Identifier:	(3S)-3-hydroxy-4-({(2S)-1-[(3-methylbutyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-4-oxobutanoic acid

ZYK

ZYK
Name:	(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline
Formula:	C14 H18 N2 O6
SMILES:	O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2
InChi:	InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1
Synonyms:	3,4-dimethoxybenzamidoxy proline
Definition date:	2010-10-22
Last modified:	2024-09-27
Identifier:	(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline

U1B

U1B
Name:	4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde
Formula:	C12 H14 N2 O4
SMILES:	O[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O
InChi:	InChI=1S/C12H14N2O4/c15-8-9-3-4-11(14(17)18)12(6-9)13-5-1-2-10(16)7-13/h3-4,6,8,10,16H,1-2,5,7H2/t10-/m0/s1
Synonyms:	4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde
Definition date:	2021-01-17
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde

PKY

PKY
Name:	[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
Formula:	C10 H12 B N4 O6 P
SMILES:	NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)nn2
InChi:	InChI=1S/C10H12BN4O6P/c12-10(16)8-3-1-2-7(4-8)9-5-15(14-13-9)6-11(17)21-22(18,19)20/h1-5,17H,6H2,(H2,12,16)(H2,18,19,20)
Definition date:	2019-08-16
Last modified:	2024-09-27
Release date:	2020-06-24
Identifier:	[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid

X1B

X1B
Name:	{(4Z)-2-[(1S)-1-amino-2-(1-methyl-1H-imidazol-5-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetaldehyde
Formula:	C18 H19 N5 O4
SMILES:	O=C1C(/N=C(C(N)Cc2cncn2C)N1CC(O)=O)=C/c1ccc(O)cc1
InChi:	InChI=1S/C18H19N5O4/c1-22-10-20-8-12(22)7-14(19)17-21-15(18(27)23(17)9-16(25)26)6-11-2-4-13(24)5-3-11/h2-6,8,10,14,24H,7,9,19H2,1H3,(H,25,26)/b15-6-/t14-/m0/s1
Synonyms:	CHROMOPHORE (N1-METHYLATED HIS-TYR-GLY)
Definition date:	2023-10-18
Last modified:	2024-09-27
Release date:	2023-11-29
Identifier:	{(4Z)-2-[(1S)-1-amino-2-(1-methyl-1H-imidazol-5-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

U1D

U1D
Name:	N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
Formula:	C11 H14 N2 O2 S
SMILES:	N(NC(C)=O)C(c2cc1CCCCc1s2)=O
InChi:	InChI=1S/C11H14N2O2S/c1-7(14)12-13-11(15)10-6-8-4-2-3-5-9(8)16-10/h6H,2-5H2,1H3,(H,12,14)(H,13,15)
Definition date:	2020-04-08
Last modified:	2024-09-27
Release date:	2020-04-15
Identifier:	N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

N3X

N3X
Name:	~{N}-[(1-methylindazol-6-yl)methyl]propanamide
Formula:	C12 H15 N3 O
SMILES:	CCC(=O)NCc1ccc2cnn(C)c2c1
InChi:	InChI=1S/C12H15N3O/c1-3-12(16)13-7-9-4-5-10-8-14-15(2)11(10)6-9/h4-6,8H,3,7H2,1-2H3,(H,13,16)
Definition date:	2022-08-11
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	~{N}-[(1-methylindazol-6-yl)methyl]propanamide

USW

USW
Name:	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula:	C15 H12 Cl N O4 S
SMILES:	Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C15H12ClNO4S/c16-12-3-6-14-15(9-12)21-8-7-17(14)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2
Definition date:	2021-03-15
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde

ZHW

ZHW
Name:	(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
Formula:	C9 H10 F N O3 S
SMILES:	FS(=O)(=O)Oc1cccc2c1CCC2N
InChi:	InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1
Definition date:	2023-03-10
Last modified:	2024-09-27
Release date:	2023-07-05
Identifier:	(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate

USX

USX
Name:	2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide
Formula:	C20 H20 N2 O5
SMILES:	COc1cc(C[CH]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O
InChi:	InChI=1S/C20H20N2O5/c1-12(23)22-15-6-4-3-5-14(15)20(25)16(22)9-13-7-8-17(18(10-13)26-2)27-11-19(21)24/h3-8,10,16H,9,11H2,1-2H3,(H2,21,24)/t16-/m0/s1
Definition date:	2023-06-19
Last modified:	2024-09-27
Release date:	2024-06-19
Identifier:	2-[4-[[(2~{S})-1-ethanoyl-3-oxidanylidene-2~{H}-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide

U1G

U1G
Name:	1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one
Formula:	C11 H14 N2 O3
SMILES:	N1(CCN(CC1)C(C)=O)C(c2ccco2)=O
InChi:	InChI=1S/C11H14N2O3/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3
Definition date:	2020-04-08
Last modified:	2024-09-27
Release date:	2020-04-15
Identifier:	1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one

N40

N40
Name:	3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide
Formula:	C24 H45 N3 O5 S
SMILES:	C(CCCCCCC)S(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O
InChi:	InChI=1S/C24H45N3O5S/c1-2-3-4-5-6-10-15-33(31,32)27-22(16-19-11-8-7-9-12-19)24(30)26-21(18-28)17-20-13-14-25-23(20)29/h19-22,27-28H,2-18H2,1H3,(H,25,29)(H,26,30)/t20-,21-,22-/m0/s1
Synonyms:	3-cyclohexyl-N~2~-(octylsulfonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide (bound form)
Definition date:	2016-09-12
Last modified:	2024-09-27
Release date:	2016-11-23
Identifier:	3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide

ORH

ORH
Name:	3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
Formula:	C19 H20 F3 N5 O2
SMILES:	FC(F)(F)c1cccc(c1)N2N=C(C#N)C(=O)N(CCCN3CCCCC3)C2=O
InChi:	InChI=1S/C19H20F3N5O2/c20-19(21,22)14-6-4-7-15(12-14)27-18(29)26(17(28)16(13-23)24-27)11-5-10-25-8-2-1-3-9-25/h4,6-7,12H,1-3,5,8-11H2
Definition date:	2009-12-22
Last modified:	2024-09-27
Identifier:	3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile

USZ

USZ
Name:	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
Formula:	C28 H32 F N3 O2
SMILES:	CCC(=O)N([CH](C(=O)NCCc1cccc(F)c1)c2cccnc2)c3ccc(cc3)C(C)(C)C
InChi:	InChI=1S/C28H32FN3O2/c1-5-25(33)32(24-13-11-22(12-14-24)28(2,3)4)26(21-9-7-16-30-19-21)27(34)31-17-15-20-8-6-10-23(29)18-20/h6-14,16,18-19,26H,5,15,17H2,1-4H3,(H,31,34)/t26-/m1/s1
Definition date:	2021-03-16
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide

U1J

U1J
Name:	5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Formula:	C14 H11 Br N2 O4
SMILES:	O=Cc1ncc(Br)cc1OCc1ccc(C)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C14H11BrN2O4/c1-9-2-3-10(4-13(9)17(19)20)8-21-14-5-11(15)6-16-12(14)7-18/h2-7H,8H2,1H3
Definition date:	2022-08-02
Last modified:	2024-09-27
Release date:	2023-06-28
Identifier:	5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde

V9C

V9C
Name:	2-phenylethylcarbamic acid
Formula:	C9 H11 N O2
SMILES:	OC(=O)NCCc1ccccc1
InChi:	InChI=1S/C9H11NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
Definition date:	2017-01-09
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	2-phenylethylcarbamic acid

ORM

ORM
Name:	2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide
Formula:	C11 H14 Cl2 N2 O3 S
SMILES:	C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)NC(C)C)=O)Cl
InChi:	InChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)
Definition date:	2019-07-03
Last modified:	2024-09-27
Release date:	2019-07-24
Identifier:	2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide

ZI3

ZI3
Name:	N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
Formula:	C22 H23 Cl N2 O3
SMILES:	O=C(NC1(COC1)c1ccc(Cl)cc1)c1cccc2N(CCCc21)C(=O)CC
InChi:	InChI=1S/C22H23ClN2O3/c1-2-20(26)25-12-4-6-17-18(5-3-7-19(17)25)21(27)24-22(13-28-14-22)15-8-10-16(23)11-9-15/h3,5,7-11H,2,4,6,12-14H2,1H3,(H,24,27)
Definition date:	2023-06-23
Last modified:	2024-09-27
Release date:	2023-07-05
Identifier:	N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide

W48

W48
Name:	(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid
Formula:	C24 H32 Cl N3 O8 S
SMILES:	O=C1NC=CC1CC(NC(=O)C(CC1CCCCC1)NC(=O)OCc1cccc(Cl)c1)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H32ClN3O8S/c25-18-8-4-7-16(11-18)14-36-24(32)28-19(12-15-5-2-1-3-6-15)22(30)27-20(23(31)37(33,34)35)13-17-9-10-26-21(17)29/h4,7-11,15,17,19-20,23,31H,1-3,5-6,12-14H2,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t17-,19-,20-,23-/m0/s1
Definition date:	2022-01-19
Last modified:	2024-09-27
Release date:	2022-05-04
Identifier:	(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid

U1M

U1M
Name:	1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C14 H20 N2 O3 S
SMILES:	N2(CCN(S(c1ccc(cc1C)C)(=O)=O)CC2)C(C)=O
InChi:	InChI=1S/C14H20N2O3S/c1-11-4-5-14(12(2)10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3
Definition date:	2020-04-08
Last modified:	2024-09-27
Release date:	2020-04-15
Identifier:	1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one

X1L

X1L
Name:	N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
Formula:	C20 H23 F2 N3 O4 S
SMILES:	FC(C)(F)c1nc(Oc2ccccc2)c(cn1)C(=O)NC(CCS(C)(=O)=O)C1CC1
InChi:	InChI=1S/C20H23F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,26)
Definition date:	2023-10-19
Last modified:	2024-09-27
Release date:	2024-05-01
Identifier:	N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide

PL7

PL7
Name:	(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID
Formula:	C16 H18 N2 O9
SMILES:	O=C(O)CCC(=NOCC(C(=O)O)NC(=O)COc1ccccc1)/C(=O)O
InChi:	InChI=1S/C16H18N2O9/c19-13(9-26-10-4-2-1-3-5-10)17-12(16(24)25)8-27-18-11(15(22)23)6-7-14(20)21/h1-5,12H,6-9H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b18-11+/t12-/m0/s1
Synonyms:	PHENYLACETYL LACTIVICIN
Definition date:	2006-12-23
Last modified:	2024-09-27
Identifier:	(2E)-2-({(2S)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid

J13

J13
Name:	(1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate
Formula:	C15 H26 N4 O7
SMILES:	C1(C(C(C(C(C1)O)O)O)C(=O)[O-])NC(=O)CCCCCCCN=[N+]=[N-]
InChi:	InChI=1S/C15H26N4O7/c16-19-17-7-5-3-1-2-4-6-8(20)18-10-9(15(25)26)11(21)13(23)14(24)12(10)22/h9-14,21-24H,1-7H2,(H,18,20)(H,25,26)/t9-,10+,11+,12-,13-,14-/m0/s1
Definition date:	2016-03-22
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	(1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate

OCD

OCD
Name:	octadecanal
Formula:	C18 H36 O
SMILES:	C(CCCCCCCCCCCCCCCCC)=O
InChi:	InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
Definition date:	2016-07-29
Last modified:	2024-09-27
Release date:	2017-03-15
Identifier:	octadecanal

U1O

U1O
Name:	N-(9-oxidanylidenethioxanthen-2-yl)ethanamide
Formula:	C15 H11 N O2 S
SMILES:	CC(=O)Nc1ccc2Sc3ccccc3C(=O)c2c1
InChi:	InChI=1S/C15H11NO2S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)19-14/h2-8H,1H3,(H,16,17)
Definition date:	2023-05-11
Last modified:	2024-09-27
Release date:	2024-07-17
Identifier:	~{N}-(9-oxidanylidenethioxanthen-2-yl)ethanamide

<1 2 3 4 5 678 9 10 11 12 13 14 15 16 >

226262

數據於2024-10-16公開中

PDB statistics

PDBj update info

Contact PDBj

numon