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: 44357 results BIRD

A1JLA

A1JLA
Name:	2-[4-[[(1~{R},2~{S},6~{S},8~{R})-2-[(4-ethynylphenyl)carbamoyloxymethyl]-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-4-yl]sulfonyl]-3-methyl-phenyl]-2-methyl-propanoic acid
Formula:	C32 H38 N2 O6 S
SMILES:	Cc1cc(ccc1[S](=O)(=O)N2C[CH]3C[CH]4C[CH](C4(C)C)[C]3(COC(=O)Nc5ccc(cc5)C#C)C2)C(C)(C)C(O)=O
InChi:	InChI=1S/C32H38N2O6S/c1-7-21-8-11-25(12-9-21)33-29(37)40-19-32-18-34(17-24(32)15-23-16-27(32)30(23,3)4)41(38,39)26-13-10-22(14-20(26)2)31(5,6)28(35)36/h1,8-14,23-24,27H,15-19H2,2-6H3,(H,33,37)(H,35,36)/t23-,24+,27+,32+/m0/s1
Definition date:	2025-07-21
Last modified:	2025-12-05
Release date:	2025-12-10
Identifier:	2-[4-[[(1~{R},2~{S},6~{S},8~{R})-2-[(4-ethynylphenyl)carbamoyloxymethyl]-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-4-yl]sulfonyl]-3-methyl-phenyl]-2-methyl-propanoic acid

A1JLB

A1JLB
Name:	2-[4-[[(1~{R},2~{R},6~{S},8~{R})-2-[3-[(4-ethynylphenyl)amino]-3-oxidanylidene-propyl]-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-4-yl]sulfonyl]phenyl]-2-methyl-propanoic acid
Formula:	C32 H38 N2 O5 S
SMILES:	CC1(C)[CH]2C[CH]3CN(C[C]3(CCC(=O)Nc4ccc(cc4)C#C)[CH]1C2)[S](=O)(=O)c5ccc(cc5)C(C)(C)C(O)=O
InChi:	InChI=1S/C32H38N2O5S/c1-6-21-7-11-25(12-8-21)33-28(35)15-16-32-20-34(19-24(32)17-23-18-27(32)30(23,2)3)40(38,39)26-13-9-22(10-14-26)31(4,5)29(36)37/h1,7-14,23-24,27H,15-20H2,2-5H3,(H,33,35)(H,36,37)/t23-,24+,27+,32-/m0/s1
Definition date:	2025-07-21
Last modified:	2025-12-05
Release date:	2025-12-10
Identifier:	2-[4-[[(1~{R},2~{R},6~{S},8~{R})-2-[3-[(4-ethynylphenyl)amino]-3-oxidanylidene-propyl]-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-4-yl]sulfonyl]phenyl]-2-methyl-propanoic acid

A1JLD

A1JLD
Name:	[(1~{R},2~{S},6~{S},8~{R})-4-(4-~{tert}-butyl-2-methyl-phenyl)sulfonyl-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-2-yl]methyl ~{N}-(4-ethynylphenyl)carbamate
Formula:	C32 H40 N2 O4 S
SMILES:	Cc1cc(ccc1[S](=O)(=O)N2C[CH]3C[CH]4C[CH](C4(C)C)[C]3(COC(=O)Nc5ccc(cc5)C#C)C2)C(C)(C)C
InChi:	InChI=1S/C32H40N2O4S/c1-8-22-9-12-26(13-10-22)33-29(35)38-20-32-19-34(18-25(32)16-24-17-28(32)31(24,6)7)39(36,37)27-14-11-23(15-21(27)2)30(3,4)5/h1,9-15,24-25,28H,16-20H2,2-7H3,(H,33,35)/t24-,25+,28+,32+/m0/s1
Definition date:	2025-07-21
Last modified:	2025-12-05
Release date:	2025-12-10
Identifier:	[(1~{R},2~{S},6~{S},8~{R})-4-(4-~{tert}-butyl-2-methyl-phenyl)sulfonyl-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-2-yl]methyl ~{N}-(4-ethynylphenyl)carbamate

A1L6V

A1L6V
Name:	(~{E})-~{N}-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Formula:	C14 H15 F3 N2 O2
SMILES:	CN(C)C(=O)CNC(=O)C=Cc1ccc(cc1)C(F)(F)F
InChi:	InChI=1S/C14H15F3N2O2/c1-19(2)13(21)9-18-12(20)8-5-10-3-6-11(7-4-10)14(15,16)17/h3-8H,9H2,1-2H3,(H,18,20)/b8-5+
Definition date:	2024-12-10
Last modified:	2025-12-05
Release date:	2025-12-10
Identifier:	(~{E})-~{N}-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

LYN

LYN
Name:	2,6-DIAMINO-HEXANOIC ACID AMIDE
Formula:	C6 H16 N3 O
SMILES:	O=C(N)C(N)CCCC[NH3+]
InChi:	InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/p+1/t5-/m0/s1
Definition date:	2000-11-10
Last modified:	2025-12-04
Identifier:	6-ammonio-L-norleucinamide

KG1

KG1
Name:	propadienyl 6-deoxy-alpha-L-galactopyranoside
Formula:	C9 H14 O5
SMILES:	C[CH]1O[CH](OCC#C)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H14O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h1,5-12H,4H2,2H3/t5-,6+,7+,8-,9+/m0/s1
Synonyms:	propargyl-fucoside
Definition date:	2017-12-04
Last modified:	2025-12-03
Release date:	2018-01-31
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-prop-2-ynoxy-oxane-3,4,5-triol

A1I9V

A1I9V
Name:	5-METHYL-2-THIO-URIDINE-5'-MONOPHOSPHATE
Formula:	C10 H15 N2 O8 P S
SMILES:	CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)NC1=O
InChi:	InChI=1S/C10H15N2O8PS/c1-4-2-12(10(22)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(16,17)18/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,22)(H2,16,17,18)/t5-,6-,7-,9-/m1/s1
Synonyms:	[(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Definition date:	2025-04-04
Last modified:	2025-12-02
Release date:	2025-05-14
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

TGA

TGA
Name:	2-sulfanylethyl beta-D-galactopyranoside
Formula:	C8 H16 O6 S
SMILES:	OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1
Synonyms:	2-sulfanylethyl beta-D-galactoside
Definition date:	2011-01-19
Last modified:	2025-12-01
Identifier:	(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol

V70

V70
Name:	ruthenium polypyridyl complex (delta enantiomer)
Formula:	C38 H26 N6 Ru
SMILES:	N1c2c(N[Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12
InChi:	InChI=1S/C14H10N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16
Definition date:	2023-02-23
Last modified:	2025-12-01
Release date:	2024-03-06

V7F

V7F
Name:	ruthenium polypyridyl complex (lambda enantiomer)
Formula:	C38 H26 N6 Ru
SMILES:	N1c2c(N[Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12
InChi:	InChI=1S/C14H10N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16
Definition date:	2023-02-23
Last modified:	2025-12-01
Release date:	2024-03-06

61H

61H
Name:	(1R)-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-D-erythro-pentitol
Formula:	C19 H19 O6 P
SMILES:	P(=O)(O)OCC4OC(c3cc2ccc1ccccc1c2cc3)CC4O
InChi:	InChI=1S/C19H19O6P/c20-17-10-18(25-19(17)11-24-26(21,22)23)14-7-8-16-13(9-14)6-5-12-3-1-2-4-15(12)16/h1-9,17-20H,10-11H2,(H2,21,22,23)/t17-,18+,19+/m0/s1
Definition date:	2016-01-13
Last modified:	2025-12-01
Release date:	2016-03-02
Identifier:	(1R)-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-D-erythro-pentitol

61J

61J
Name:	(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
Formula:	C8 H17 O8 P
SMILES:	C1(C)C(C(C(C(O1)CCOP(=O)O)O)O)O
InChi:	InChI=1S/C8H17O8P/c1-4-6(9)8(11)7(10)5(16-4)2-3-15-17(12,13)14/h4-11H,2-3H2,1H3,(H2,12,13,14)/t4-,5-,6+,7+,8+/m0/s1
Definition date:	2016-01-13
Last modified:	2025-12-01
Release date:	2016-03-02
Identifier:	(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol

A1BUF

A1BUF
Name:	(2M)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol
Formula:	C17 H16 F N3 O
SMILES:	NCc1ccc(c2cc3nc(N)cc(C)c3cc2F)c(O)c1
InChi:	InChI=1S/C17H16FN3O/c1-9-4-17(20)21-15-7-13(14(18)6-12(9)15)11-3-2-10(8-19)5-16(11)22/h2-7,22H,8,19H2,1H3,(H2,20,21)
Definition date:	2025-01-24
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2M)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol

A1EBW

A1EBW
Name:	Adriforant
Formula:	C13 H22 N6
SMILES:	CN[CH]1CCN(C1)c2cc(NCC3CC3)nc(N)n2
InChi:	InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
Synonyms:	4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
Definition date:	2024-09-11
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	~{N}4-(cyclopropylmethyl)-6-[(3~{R})-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine

A1BXZ

A1BXZ
Name:	N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
Formula:	C11 H12 N4 O S
SMILES:	O=C(NCc1nc(cs1)C1CC1)c1cc[NH]n1
InChi:	InChI=1S/C11H12N4OS/c16-11(8-3-4-13-15-8)12-5-10-14-9(6-17-10)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,12,16)(H,13,15)
Definition date:	2025-02-24
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

A1BYF

A1BYF
Name:	5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
Formula:	C16 H21 N5 O S
SMILES:	O=C(NCc1nc(cs1)C1CC1)c1cc(CNCC2CC2)[NH]n1
InChi:	InChI=1S/C16H21N5OS/c22-16(18-8-15-19-14(9-23-15)11-3-4-11)13-5-12(20-21-13)7-17-6-10-1-2-10/h5,9-11,17H,1-4,6-8H2,(H,18,22)(H,20,21)
Definition date:	2025-02-26
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

A1C1V

A1C1V
Name:	[(1R)-1-chloroethyl]benzene
Formula:	C8 H9 Cl
SMILES:	CC(Cl)c1ccccc1
InChi:	InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m1/s1
Definition date:	2025-11-24
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	[(1R)-1-chloroethyl]benzene

A1CCQ

A1CCQ
Name:	(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoic acid
Formula:	C9 H12 N2 O3
SMILES:	Oc1ccc(CC(NN)C(=O)O)cc1
InChi:	InChI=1S/C9H12N2O3/c10-11-8(9(13)14)5-6-1-3-7(12)4-2-6/h1-4,8,11-12H,5,10H2,(H,13,14)/t8-/m0/s1
Definition date:	2025-05-14
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoic acid

A1CCR

A1CCR
Name:	(2S)-2-hydrazinyl-3-phenylpropanoic acid
Formula:	C9 H12 N2 O2
SMILES:	O=C(O)C(NN)Cc1ccccc1
InChi:	InChI=1S/C9H12N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m0/s1
Definition date:	2025-05-14
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2S)-2-hydrazinyl-3-phenylpropanoic acid

A1CH3

A1CH3
Name:	6-[(4R,5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile
Formula:	C21 H19 N3 O
SMILES:	N#Cc1ccc(C2C(O)CCCc3cncn32)c(c1)c1ccccc1
InChi:	InChI=1S/C21H19N3O/c22-12-15-9-10-18(19(11-15)16-5-2-1-3-6-16)21-20(25)8-4-7-17-13-23-14-24(17)21/h1-3,5-6,9-11,13-14,20-21,25H,4,7-8H2/t20-,21-/m0/s1
Definition date:	2025-07-09
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	6-[(4R,5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile

A1CYY

A1CYY
Name:	2-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methyl-1H-indazol-6-yl)methyl]aniline
Formula:	C18 H17 F2 N3
SMILES:	FC1(F)CC1c1ccccc1NCc1ccc2cnn(C)c2c1
InChi:	InChI=1S/C18H17F2N3/c1-23-17-8-12(6-7-13(17)11-22-23)10-21-16-5-3-2-4-14(16)15-9-18(15,19)20/h2-8,11,15,21H,9-10H2,1H3/t15-/m1/s1
Definition date:	2025-10-17
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	2-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methyl-1H-indazol-6-yl)methyl]aniline

A1I5V

A1I5V
Name:	3-methyl-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C6 H7 N5
SMILES:	Cc1n[nH]c2ncnc(N)c12
InChi:	InChI=1S/C6H7N5/c1-3-4-5(7)8-2-9-6(4)11-10-3/h2H,1H3,(H3,7,8,9,10,11)
Definition date:	2025-03-11
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	3-methyl-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine

A1I5Y

A1I5Y
Name:	(2~{S},9~{S},12~{R})-2-cyclohexyl-20,23-dimethoxy-12-methyl-11,14,18-trioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(22),19(23),20-triene-3,10-dione
Formula:	C28 H41 N O7
SMILES:	COc1cc2cc(OC)c1OCCCOC[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4
InChi:	InChI=1S/C28H41NO7/c1-19-18-34-14-9-15-35-26-23(32-2)16-21(17-24(26)33-3)25(20-10-5-4-6-11-20)27(30)29-13-8-7-12-22(29)28(31)36-19/h16-17,19-20,22,25H,4-15,18H2,1-3H3/t19-,22+,25+/m1/s1
Definition date:	2025-03-12
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2~{S},9~{S},12~{R})-2-cyclohexyl-20,23-dimethoxy-12-methyl-11,14,18-trioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(22),19(23),20-triene-3,10-dione

A1IUQ

A1IUQ
Name:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-~{N},~{N}-dimethyl-propanamide
Formula:	C29 H51 N O12
SMILES:	C[CH]1O[CH](O[CH]2CCCC[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O[CH](CC4CCCCC4)C(=O)N(C)C)[CH]3O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C29H51NO12/c1-15-21(32)23(34)24(35)28(38-15)40-17-11-7-8-12-18(17)41-29-25(36)26(22(33)20(14-31)42-29)39-19(27(37)30(2)3)13-16-9-5-4-6-10-16/h15-26,28-29,31-36H,4-14H2,1-3H3/t15-,17+,18+,19-,20+,21+,22-,23+,24-,25+,26-,28-,29+/m0/s1
Definition date:	2024-11-20
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-~{N},~{N}-dimethyl-propanamide

A1IUR

A1IUR
Name:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-1-pyrrolidin-1-yl-propan-1-one
Formula:	C31 H53 N O12
SMILES:	C[CH]1O[CH](O[CH]2CCCC[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O[CH](CC4CCCCC4)C(=O)N5CCCC5)[CH]3O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C31H53NO12/c1-17-23(34)25(36)26(37)30(40-17)42-19-11-5-6-12-20(19)43-31-27(38)28(24(35)22(16-33)44-31)41-21(15-18-9-3-2-4-10-18)29(39)32-13-7-8-14-32/h17-28,30-31,33-38H,2-16H2,1H3/t17-,19+,20+,21-,22+,23+,24-,25+,26-,27+,28-,30-,31+/m0/s1
Definition date:	2024-11-20
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-1-pyrrolidin-1-yl-propan-1-one

<123 4 5 6 7 8 9 10 11 12 13 14 15 16 >

246031

數據於2025-12-10公開中

PDB statistics

PDBj update info

Contact PDBj

numon