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: 44195 results BIRD

A1CLZ

A1CLZ
Name:	(2P)-2-(isoquinolin-6-yl)cyclopent-1-ene-1-carboxylic acid
Formula:	C15 H13 N O2
SMILES:	O=C(O)C=1CCCC=1c1ccc2cnccc2c1
InChi:	InChI=1S/C15H13NO2/c17-15(18)14-3-1-2-13(14)11-4-5-12-9-16-7-6-10(12)8-11/h4-9H,1-3H2,(H,17,18)
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(2P)-2-(isoquinolin-6-yl)cyclopent-1-ene-1-carboxylic acid

A1CMA

A1CMA
Name:	(1R,2R)-2-(quinolin-7-yl)cyclopentane-1-carboxylic acid
Formula:	C15 H15 N O2
SMILES:	O=C(O)C1CCCC1c1cc2ncccc2cc1
InChi:	InChI=1S/C15H15NO2/c17-15(18)13-5-1-4-12(13)11-7-6-10-3-2-8-16-14(10)9-11/h2-3,6-9,12-13H,1,4-5H2,(H,17,18)/t12-,13+/m0/s1
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(1R,2R)-2-(quinolin-7-yl)cyclopentane-1-carboxylic acid

A1CMB

A1CMB
Name:	(2P)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid
Formula:	C13 H12 N2 O2 S
SMILES:	O=C(O)C=1CCCC=1c1ccc2nc(N)sc2c1
InChi:	InChI=1S/C13H12N2O2S/c14-13-15-10-5-4-7(6-11(10)18-13)8-2-1-3-9(8)12(16)17/h4-6H,1-3H2,(H2,14,15)(H,16,17)
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(2P)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid

A1CMD

A1CMD
Name:	(2P)-2-[2-(ethylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid
Formula:	C15 H16 N2 O2 S
SMILES:	O=C(O)C=1CCCC=1c1ccc2nc(NCC)sc2c1
InChi:	InChI=1S/C15H16N2O2S/c1-2-16-15-17-12-7-6-9(8-13(12)20-15)10-4-3-5-11(10)14(18)19/h6-8H,2-5H2,1H3,(H,16,17)(H,18,19)
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(2P)-2-[2-(ethylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid

A1CME

A1CME
Name:	(2P)-2-(quinolin-7-yl)cyclopent-1-ene-1-carboxylic acid
Formula:	C15 H13 N O2
SMILES:	O=C(O)C=1CCCC=1c1cc2ncccc2cc1
InChi:	InChI=1S/C15H13NO2/c17-15(18)13-5-1-4-12(13)11-7-6-10-3-2-8-16-14(10)9-11/h2-3,6-9H,1,4-5H2,(H,17,18)
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(2P)-2-(quinolin-7-yl)cyclopent-1-ene-1-carboxylic acid

A1EAY

A1EAY
Name:	1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]pyrazolidine-3,5-dione
Formula:	C23 H20 N2 O3 S
SMILES:	O=C1C(CC[S](=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4
InChi:	InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
Synonyms:	sulfinpyrazone
Definition date:	2024-08-20
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]pyrazolidine-3,5-dione

A1EMU

A1EMU
Name:	3-(4-bromophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole
Formula:	C22 H22 Br N5 O S
SMILES:	COc1ccc(cc1)N2CCN(CC2)Cc3sc4nnc(n4c3)c5ccc(Br)cc5
InChi:	InChI=1S/C22H22BrN5OS/c1-29-19-8-6-18(7-9-19)27-12-10-26(11-13-27)14-20-15-28-21(24-25-22(28)30-20)16-2-4-17(23)5-3-16/h2-9,15H,10-14H2,1H3
Definition date:	2025-03-07
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	3-(4-bromophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole

A1I5Z

A1I5Z
Name:	6-azanyl-1-[2-(azetidin-3-yl)ethyl]-2-cycloheptyl-4-ethoxy-pyrazolo[3,4-d]pyrimidin-3-one
Formula:	C19 H30 N6 O2
SMILES:	CCOc1nc(N)nc2N(CCC3CNC3)N(C4CCCCCC4)C(=O)c12
InChi:	InChI=1S/C19H30N6O2/c1-2-27-17-15-16(22-19(20)23-17)24(10-9-13-11-21-12-13)25(18(15)26)14-7-5-3-4-6-8-14/h13-14,21H,2-12H2,1H3,(H2,20,22,23)
Definition date:	2025-03-12
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	6-azanyl-1-[2-(azetidin-3-yl)ethyl]-2-cycloheptyl-4-ethoxy-pyrazolo[3,4-d]pyrimidin-3-one

A1I62

A1I62
Name:	2-azanyl-4-ethoxy-6-[(1~{R},2~{S})-2-oxidanylcyclohexyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one
Formula:	C14 H20 N4 O3
SMILES:	CCOc1nc(N)nc2CN([CH]3CCCC[CH]3O)C(=O)c12
InChi:	InChI=1S/C14H20N4O3/c1-2-21-12-11-8(16-14(15)17-12)7-18(13(11)20)9-5-3-4-6-10(9)19/h9-10,19H,2-7H2,1H3,(H2,15,16,17)/t9-,10+/m1/s1
Definition date:	2025-03-19
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	2-azanyl-4-ethoxy-6-[(1~{R},2~{S})-2-oxidanylcyclohexyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one

7WW

7WW
Name:	[5-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-oxidanylpyrrolidin-1-yl]methanone
Formula:	C21 H20 Cl N3 O3
SMILES:	COc1ccc(cc1)n2nc(cc2c3ccccc3Cl)C(=O)N4CC[CH](O)C4
InChi:	InChI=1S/C21H20ClN3O3/c1-28-16-8-6-14(7-9-16)25-20(17-4-2-3-5-18(17)22)12-19(23-25)21(27)24-11-10-15(26)13-24/h2-9,12,15,26H,10-11,13H2,1H3/t15-/m1/s1
Definition date:	2023-07-13
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	[5-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-[(3~{R})-3-oxidanylpyrrolidin-1-yl]methanone

A1IKF

A1IKF
Name:	N-(2-(2-(2-acetamidoethoxy)ethoxy)ethyl)-3-(N-(1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzo[d]imidazol-5-yl)sulfamoyl)benzamide
Formula:	C33 H41 N5 O9 S
SMILES:	CCCOc1cccc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4cccc(c4)C(=O)NCCOCCOCCNC(C)=O)c1
InChi:	InChI=1S/C33H41N5O9S/c1-5-14-46-25-9-7-10-26(20-25)47-31-22-30-29(37(3)33(41)38(30)4)21-28(31)36-48(42,43)27-11-6-8-24(19-27)32(40)35-13-16-45-18-17-44-15-12-34-23(2)39/h6-11,19-22,36H,5,12-18H2,1-4H3,(H,34,39)(H,35,40)
Definition date:	2024-08-07
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	~{N}-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[[1,3-dimethyl-2-oxidanylidene-6-(3-propoxyphenoxy)benzimidazol-5-yl]sulfamoyl]benzamide

A1IOS

A1IOS
Name:	stanozolol
Formula:	C21 H32 N2 O
SMILES:	C[C]1(O)CC[CH]2[CH]3CC[CH]4Cc5n[nH]cc5C[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1
Definition date:	2024-09-16
Last modified:	2025-08-08
Release date:	2025-08-13

A1IXE

A1IXE
Name:	1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Formula:	C19 H24 N4 O3 S
SMILES:	Cc1ccc(cc1)n2c(C)nnc2SCC(=O)N3CCOCCC34COC4
InChi:	InChI=1S/C19H24N4O3S/c1-14-3-5-16(6-4-14)23-15(2)20-21-18(23)27-11-17(24)22-8-10-25-9-7-19(22)12-26-13-19/h3-6H,7-13H2,1-2H3
Definition date:	2024-12-19
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

A1IXF

A1IXF
Name:	methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate
Formula:	C16 H26 N4 O4 S
SMILES:	COC(=O)C1(CC(C)(C)OC(C)(C)C1)NCC(=O)Nc2sc(C)nn2
InChi:	InChI=1S/C16H26N4O4S/c1-10-19-20-13(25-10)18-11(21)7-17-16(12(22)23-6)8-14(2,3)24-15(4,5)9-16/h17H,7-9H2,1-6H3,(H,18,20,21)
Definition date:	2024-12-19
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate

A1JAT

A1JAT
Name:	(6R,6aR,7S,10R,10aS)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid
Formula:	C23 H19 F6 N O2
SMILES:	OC(=O)c1ccc2[CH]3[CH]4CC[CH](C4)[CH]3[CH](Nc2c1)c5cc(cc(c5)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C23H19F6NO2/c24-22(25,26)14-6-13(7-15(9-14)23(27,28)29)20-19-11-2-1-10(5-11)18(19)16-4-3-12(21(31)32)8-17(16)30-20/h3-4,6-11,18-20,30H,1-2,5H2,(H,31,32)/t10-,11+,18-,19-,20+/m1/s1
Definition date:	2025-04-10
Last modified:	2025-08-08
Release date:	2025-08-13

A1JB2

A1JB2
Name:	4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonyl-5-pyridin-3-yl-benzene-1,2-diol
Formula:	C23 H24 N6 O7 S2
SMILES:	CN(C)c1ccc(c2nonc12)[S](=O)(=O)N3CCN(CC3)[S](=O)(=O)c4cc(O)c(O)cc4c5cccnc5
InChi:	InChI=1S/C23H24N6O7S2/c1-27(2)17-5-6-20(23-22(17)25-36-26-23)37(32,33)28-8-10-29(11-9-28)38(34,35)21-13-19(31)18(30)12-16(21)15-4-3-7-24-14-15/h3-7,12-14,30-31H,8-11H2,1-2H3
Synonyms:	DEHSUWFLXFTDPH-UHFFFAOYSA-N
Definition date:	2025-05-07
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonyl-5-pyridin-3-yl-benzene-1,2-diol

A1JB3

A1JB3
Name:	4-[4-[(7-azanyl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol
Formula:	C16 H17 N5 O7 S2
SMILES:	Nc1ccc(c2nonc12)[S](=O)(=O)N3CCN(CC3)[S](=O)(=O)c4ccc(O)c(O)c4
InChi:	InChI=1S/C16H17N5O7S2/c17-11-2-4-14(16-15(11)18-28-19-16)30(26,27)21-7-5-20(6-8-21)29(24,25)10-1-3-12(22)13(23)9-10/h1-4,9,22-23H,5-8,17H2
Synonyms:	BEHXKSOMSFVUBW-UHFFFAOYSA-N
Definition date:	2025-05-07
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	4-[4-[(7-azanyl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol

A1JBW

A1JBW
Name:	4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol
Formula:	C18 H21 N5 O7 S2
SMILES:	CN(C)c1ccc(c2nonc12)[S](=O)(=O)N3CCN(CC3)[S](=O)(=O)c4ccc(O)c(O)c4
InChi:	InChI=1S/C18H21N5O7S2/c1-21(2)13-4-6-16(18-17(13)19-30-20-18)32(28,29)23-9-7-22(8-10-23)31(26,27)12-3-5-14(24)15(25)11-12/h3-6,11,24-25H,7-10H2,1-2H3
Definition date:	2025-05-07
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol

A1JBZ

A1JBZ
Name:	4-[4-[(7-piperidin-1-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol
Formula:	C21 H25 N5 O7 S2
SMILES:	Oc1ccc(cc1O)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc(N4CCCCC4)c5nonc35
InChi:	InChI=1S/C21H25N5O7S2/c27-17-6-4-15(14-18(17)28)34(29,30)25-10-12-26(13-11-25)35(31,32)19-7-5-16(20-21(19)23-33-22-20)24-8-2-1-3-9-24/h4-7,14,27-28H,1-3,8-13H2
Synonyms:	ISODZKPLYYJZLI-UHFFFAOYSA-N
Definition date:	2025-05-07
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	4-[4-[(7-piperidin-1-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol

A1JC6

A1JC6
Name:	(~{E})-3-[3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:	C16 H10 F3 N O3
SMILES:	FC(F)(F)c1cccc(c1)C(=O)C=Cc2cccc(c2)[N+](=O)=O
InChi:	InChI=1S/C16H10F3NO3/c17-16(18,19)13-5-2-4-12(10-13)15(21)8-7-11-3-1-6-14(9-11)20(22)23/h1-10H/q+1/b8-7+
Definition date:	2025-05-12
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(~{E})-3-[3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

A1JC8

A1JC8
Name:	(~{E})-3-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:	C17 H11 F3 O3
SMILES:	FC(F)(F)c1cccc(c1)C(=O)C=Cc2ccc3[oH]coc3c2
InChi:	InChI=1S/C17H11F3O3/c18-17(19,20)13-3-1-2-12(9-13)14(21)6-4-11-5-7-15-16(8-11)23-10-22-15/h1-10,22H/b6-4+
Definition date:	2025-05-12
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(~{E})-3-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

A1JCO

A1JCO
Name:	(~{E})-3-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:	C16 H10 F3 N O3
SMILES:	FC(F)(F)c1cccc(c1)C(=O)C=Cc2ccc(cc2)[N](=O)=O
InChi:	InChI=1S/C16H10F3NO3/c17-16(18,19)13-3-1-2-12(10-13)15(21)9-6-11-4-7-14(8-5-11)20(22)23/h1-10H
Definition date:	2025-05-09
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(~{E})-3-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

A1JFD

A1JFD
Name:	2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,5$l^{3},7-trioxa-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid
Formula:	C4 H8 O10 V2
SMILES:	OC(=O)C[CH]1[O+]2[V](O)(O)O[V]2(O)(O)OC1=O
InChi:	InChI=1S/C4H5O5.4H2O.O.2V/c5-2(4(8)9)1-3(6)7
Synonyms:	dioxovanadium(V) complex of malic acid
Definition date:	2025-06-04
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,7-dioxa-5-oxonia-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid

A1JHO

A1JHO
Name:	6S,6aS,7R,10S,10aR)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid
Formula:	C23 H19 F6 N O2
SMILES:	OC(=O)c1ccc2[CH]3[CH]4CC[CH](C4)[CH]3[CH](Nc2c1)c5cc(cc(c5)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C23H19F6NO2/c24-22(25,26)14-6-13(7-15(9-14)23(27,28)29)20-19-11-2-1-10(5-11)18(19)16-4-3-12(21(31)32)8-17(16)30-20/h3-4,6-11,18-20,30H,1-2,5H2,(H,31,32)/t10-,11+,18-,19-,20+/m0/s1
Definition date:	2025-06-18
Last modified:	2025-08-08
Release date:	2025-08-13

A1JHR

A1JHR
Name:	Gly-Ser-epsilon-Lys
Formula:	C11 H22 N4 O5
SMILES:	NCC(=O)N[CH](CO)C(=O)NCCCC[CH](N)C(O)=O
InChi:	InChI=1S/C11H22N4O5/c12-5-9(17)15-8(6-16)10(18)14-4-2-1-3-7(13)11(19)20/h7-8,16H,1-6,12-13H2,(H,14,18)(H,15,17)(H,19,20)/t7-,8-/m0/s1
Synonyms:	(2S)-2-azanyl-6-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]hexanoic acid
Definition date:	2025-06-19
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(2~{S})-2-azanyl-6-[[(2~{S})-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]hexanoic acid

<7 8 9 10 11 12 131415 16 17 18 19 20 21 22 >

243083

数据于2025-10-15公开中

PDB statistics

PDBj update info

Contact PDBj

numon