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JSU

JSU
Name:	trichloro((3~{a}~{S},4~{S},6~{a}~{R})-4-[(5~{R})-5-oxidanyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethylamino]pentyl]-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-2-one)rhodium(3+)
Formula:	C21 H32 Cl3 N3 O2 Rh S
SMILES:	[Cl-].[Cl-].[Cl-].[Rh+3].CC1=C(C)C(=C(C)[C-]1CCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)C
InChi:	InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20
Definition date:	2022-08-26
Last modified:	2024-02-23
Release date:	2024-02-28

06G

06G
Name:	D-myo-inositol 1,4,6-trisphosphate
Formula:	C6 H15 O15 P3
SMILES:	O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4+,5+,6+/m0/s1
Synonyms:	[(1R,2R,3S,4R,5S,6R)-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Definition date:	2023-07-10
Last modified:	2024-02-23
Release date:	2024-02-28
Identifier:	[(1~{R},2~{R},3~{S},4~{R},5~{S},6~{R})-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate

M7G

M7G
Name:	7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
Formula:	C11 H18 N5 O11 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O
InChi:	InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-02-21
Identifier:	7-methylguanosine 5'-(trihydrogen diphosphate)

X1J

X1J
Name:	1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one
Formula:	C10 H12 N2 O
SMILES:	c2c1c(CN(C1)C(=O)C)ccc2N
InChi:	InChI=1S/C10H12N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-4H,5-6,11H2,1H3
Definition date:	2020-11-20
Last modified:	2024-02-20
Release date:	2021-06-30
Identifier:	1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one

LSB

LSB
Name:	(4R,5S)-3-((2R,3S,4S)-2-ethyl-5-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-3-hydroxy-4-methylpentanoyl)-4-methyl-5-phenyloxazolidin-2-one
Formula:	C29 H43 N O6
SMILES:	O=C2OC(c1ccccc1)C(N2C(=O)C(CC)C(O)C(C)CC4(OC4CCC3(OC3C)CC)CC)C
InChi:	InChI=1S/C29H43NO6/c1-7-22(26(32)30-19(5)25(34-27(30)33)21-13-11-10-12-14-21)24(31)18(4)17-29(9-3)23(36-29)15-16-28(8-2)20(6)35-28/h10-14,18-20,22-25,31H,7-9,15-17H2,1-6H3/t18-,19+,20+,22+,23+,24-,25+,28+,29+/m0/s1
Synonyms:	(4R,5S)-3-[(2R,3S,4S)-2-ethyl-5-[(3R)-2-ethyl-3-[2-[(2R,3R)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
Definition date:	2011-04-13
Last modified:	2024-02-19
Identifier:	(4R,5S)-3-{(2R,3S,4S)-2-ethyl-5-[(2R,3R)-2-ethyl-3-{2-[(2R,3R)-2-ethyl-3-methyloxiran-2-yl]ethyl}oxiran-2-yl]-3-hydroxy-4-methylpentanoyl}-4-methyl-5-phenyl-1,3-oxazolidin-2-one (non-preferred name)

7CQ

7CQ
Name:	5-bromo-2-methoxy-N-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide
Formula:	C17 H17 Br N2 O4 S
SMILES:	Brc1cc(c(OC)cc1)S(=O)(=O)Nc1cccc(c1)N1CCCC1=O
InChi:	InChI=1S/C17H17BrN2O4S/c1-24-15-8-7-12(18)10-16(15)25(22,23)19-13-4-2-5-14(11-13)20-9-3-6-17(20)21/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3
Definition date:	2016-10-04
Last modified:	2024-02-19
Release date:	2017-08-09
Identifier:	5-bromo-2-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide

9RN

9RN
Name:	3,6-anhydro-alpha-D-galactopyranose
Formula:	C6 H10 O5
SMILES:	OC1OC2COC(C2O)C1O
InChi:	InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m1/s1
Definition date:	2017-07-03
Last modified:	2024-02-19
Release date:	2017-10-18
Identifier:	3,6-anhydro-alpha-D-galactopyranose

Y5C

Y5C
Name:	4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid
Formula:	C17 H17 F N4 O3
SMILES:	O=C(O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21
InChi:	InChI=1S/C17H17FN4O3/c18-12-9-10(4-5-11(12)16(24)25)3-1-2-7-22-8-6-13-14(22)15(23)21-17(19)20-13/h4-6,8-9H,1-3,7H2,(H,24,25)(H3,19,20,21,23)
Definition date:	2023-06-12
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid

UHL

UHL
Name:	5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
Formula:	C5 H9 N3 O2
SMILES:	COCCc1oc(N)nn1
InChi:	InChI=1S/C5H9N3O2/c1-9-3-2-4-7-8-5(6)10-4/h2-3H2,1H3,(H2,6,8)
Definition date:	2023-02-03
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine

UHR

UHR
Name:	[(2R)-oxan-2-yl]methanamine
Formula:	C6 H13 N O
SMILES:	NC[CH]1CCCCO1
InChi:	InChI=1S/C6H13NO/c7-5-6-3-1-2-4-8-6/h6H,1-5,7H2/t6-/m1/s1
Definition date:	2023-02-06
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	[(2~{R})-oxan-2-yl]methanamine

UI4

UI4
Name:	4-pyridin-2-ylphenol
Formula:	C11 H9 N O
SMILES:	Oc1ccc(cc1)c2ccccn2
InChi:	InChI=1S/C11H9NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8,13H
Definition date:	2023-02-06
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	4-pyridin-2-ylphenol

U4R

U4R
Name:	(2E)-but-2-en-1-yl dihydrogen phosphate
Formula:	C4 H9 O4 P
SMILES:	O=P(O)(O)OCC=CC
InChi:	InChI=1S/C4H9O4P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+
Definition date:	2023-08-30
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(2E)-but-2-en-1-yl dihydrogen phosphate

Y5Z

Y5Z
Name:	N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid
Formula:	C27 H31 F N6 O9
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)CCC(NC(=O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21)C(=O)O
InChi:	InChI=1S/C27H31FN6O9/c28-16-13-14(3-1-2-11-34-12-10-17-22(34)24(39)33-27(29)32-17)4-5-15(16)23(38)31-19(26(42)43)6-8-20(35)30-18(25(40)41)7-9-21(36)37/h4-5,10,12-13,18-19H,1-3,6-9,11H2,(H,30,35)(H,31,38)(H,36,37)(H,40,41)(H,42,43)(H3,29,32,33,39)/t18-,19-/m0/s1
Definition date:	2023-06-12
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid

UIS

UIS
Name:	N-[3-(diethylamino)phenyl]ethanamide
Formula:	C12 H18 N2 O
SMILES:	CCN(CC)c1cccc(NC(C)=O)c1
InChi:	InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)
Definition date:	2023-02-06
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	~{N}-[3-(diethylamino)phenyl]ethanamide

UIV

UIV
Name:	~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
Formula:	C13 H21 N3 O
SMILES:	Cn1cc(CN(C)C(=O)C2CCCCC2)cn1
InChi:	InChI=1S/C13H21N3O/c1-15(9-11-8-14-16(2)10-11)13(17)12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3
Definition date:	2023-02-06
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide

U5O

U5O
Name:	(2E)-2-methylbut-2-en-1-yl dihydrogen phosphate
Formula:	C5 H11 O4 P
SMILES:	O=P(O)(O)OCC(C)=CC
InChi:	InChI=1S/C5H11O4P/c1-3-5(2)4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)/b5-3+
Definition date:	2023-08-30
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(2E)-2-methylbut-2-en-1-yl dihydrogen phosphate

U69

U69
Name:	2-cyclopentylideneethyl dihydrogen phosphate
Formula:	C7 H13 O4 P
SMILES:	O=P(O)(O)OCC=C1CCCC1
InChi:	InChI=1S/C7H13O4P/c8-12(9,10)11-6-5-7-3-1-2-4-7/h5H,1-4,6H2,(H2,8,9,10)
Definition date:	2023-08-30
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	2-cyclopentylideneethyl dihydrogen phosphate

UK6

UK6
Name:	sclareol
Formula:	C20 H36 O2
SMILES:	CC1(C)CCC[C]2(C)[CH]1CC[C](C)(O)[CH]2CC[C](C)(O)C=C
InChi:	InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
Synonyms:	(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Definition date:	2023-02-06
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(1~{R},2~{R},4~{a}~{S},8~{a}~{S})-2,5,5,8~{a}-tetramethyl-1-[(3~{R})-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-2-ol

XG3

XG3
Name:	N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea
Formula:	C14 H9 Cl2 F3 N2 O2
SMILES:	Clc1ccc(cc1NC(=O)Nc1cc(Cl)ccc1O)C(F)(F)F
InChi:	InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)
Definition date:	2023-11-01
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea

YLI

YLI
Name:	(3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H17 Br N2 O2 S
SMILES:	NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(Br)cc1
InChi:	InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15+,18+/m0/s1
Definition date:	2023-12-05
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

YLR

YLR
Name:	(3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C22 H20 N2 O2 S
SMILES:	NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc21
InChi:	InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)/t17-,19+,22+/m0/s1
Definition date:	2023-12-05
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

U7M

U7M
Name:	1-butyl-3-(4-sulfamoylphenyl)urea
Formula:	C11 H17 N3 O3 S
SMILES:	CCCCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,12,16,17)(H2,13,14,15)
Synonyms:	4-(3-butylureido)benzenesulfonamide
Definition date:	2023-01-27
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	1-butyl-3-(4-sulfamoylphenyl)urea

YME

YME
Name:	(2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
Formula:	C16 H10 Cl N O3
SMILES:	O=C(O)c1cc(nc2c(Cl)cccc12)c1ccccc1O
InChi:	InChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21)
Definition date:	2023-02-09
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid

ULC

ULC
Name:	~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate
Formula:	C18 H20 N2 O2 S
SMILES:	COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2
InChi:	InChI=1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3
Definition date:	2023-02-07
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate

YMI

YMI
Name:	3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Formula:	C11 H9 F N2 O2
SMILES:	Cn1nc(cc1C(=O)O)c1ccc(F)cc1
InChi:	InChI=1S/C11H9FN2O2/c1-14-10(11(15)16)6-9(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
Definition date:	2023-02-09
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid

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