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

SKR

SKR
Name:	~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,8,9-tris(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide
Formula:	C23 H37 N O5
SMILES:	COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O)C3=C(C[CH](O)[C]3(C)C=C12)[CH](C)CNC(C)=O
InChi:	InChI=1S/C23H37NO5/c1-12(10-24-14(3)25)17-8-19(26)23(4)9-18-15(11-29-5)6-7-16(18)13(2)21(27)22(28)20(17)23/h9,12-13,15-16,19,21-22,26-28H,6-8,10-11H2,1-5H3,(H,24,25)/b18-9-/t12-,13-,15-,16+,19+,21-,22-,23+/m1/s1
Definition date:	2022-12-15
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,8,9-tris(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide

VDC

VDC
Name:	N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
Formula:	C24 H26 F N5 O4
SMILES:	FC1CC1N1C=CC=C(NC(=O)c2cc3cn(nc3nc2OC(C)C)C23CC(C)(C2)OC3)C1=O
InChi:	InChI=1S/C24H26FN5O4/c1-13(2)34-21-15(20(31)26-17-5-4-6-29(22(17)32)18-8-16(18)25)7-14-9-30(28-19(14)27-21)24-10-23(3,11-24)33-12-24/h4-7,9,13,16,18H,8,10-12H2,1-3H3,(H,26,31)/t16-,18+,23-,24-/m0/s1
Definition date:	2023-09-11
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

VE9

VE9
Name:	N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
Formula:	C24 H26 F N5 O4
SMILES:	FC1CC1N1C=CC=C(NC(=O)c2cc3cn(nc3nc2OC(C)C)C23CC(C)(C2)OC3)C1=O
InChi:	InChI=1S/C24H26FN5O4/c1-13(2)34-21-15(20(31)26-17-5-4-6-29(22(17)32)18-8-16(18)25)7-14-9-30(28-19(14)27-21)24-10-23(3,11-24)33-12-24/h4-7,9,13,16,18H,8,10-12H2,1-3H3,(H,26,31)/t16?,18-,23-,24-/m0/s1
Definition date:	2023-09-12
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

VEU

VEU
Name:	~{N}-(1-cyclopropyl-2-oxidanylidene-pyridin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxy-imidazo[1,2-a]pyrimidine-6-carboxamide
Formula:	C24 H27 N5 O4
SMILES:	O=C1N(C=CC=C1NC(=O)c1cn2cc(nc2nc1OC(C)C)C12CC(C)(C1)OC2)C1CC1
InChi:	InChI=1S/C24H27N5O4/c1-14(2)33-20-16(19(30)25-17-5-4-8-29(21(17)31)15-6-7-15)9-28-10-18(26-22(28)27-20)24-11-23(3,12-24)32-13-24/h4-5,8-10,14-15H,6-7,11-13H2,1-3H3,(H,25,30)/t23-,24-
Definition date:	2023-09-12
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	(4R)-N-(1-cyclopropyl-2-oxo-1,2-dihydropyridin-3-yl)-2-[(1S,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide

WFQ

WFQ
Name:	(4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide
Formula:	C23 H25 N7 O3
SMILES:	Cc1cn2ncc(NC(=O)c3cn4cc(nc4nc3OC(C)C)C34CC(C)(C3)OC4)c2nc1
InChi:	InChI=1S/C23H25N7O3/c1-13(2)33-20-15(19(31)26-16-6-25-30-7-14(3)5-24-18(16)30)8-29-9-17(27-21(29)28-20)23-10-22(4,11-23)32-12-23/h5-9,13H,10-12H2,1-4H3,(H,26,31)/t22-,23-
Definition date:	2023-10-02
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	(4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide

A1IBV

A1IBV
Name:	5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Formula:	C17 H16 Cl N3 O
SMILES:	CN1C=C(C=C(C)C1=O)c2nc(Cl)cn2Cc3ccccc3
InChi:	InChI=1S/C17H16ClN3O/c1-12-8-14(10-20(2)17(12)22)16-19-15(18)11-21(16)9-13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3
Definition date:	2024-05-15
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	5-[4-chloranyl-1-(phenylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one

A1ICR

A1ICR
Name:	Polyoxidovanadate complex
Formula:	O51 V20
SMILES:	[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O--].[O--].[O--].[O--].[V+4][O--][V+4]1[O--][V+4][O--][V+4]2[O--][V+4]3[O--][V+4][O--][V+4]4([O--][V+4]([O--][V+4])[O--][V+4](=[O--])=[O--])[O--][V+4]5[O--][V+4][O--][V+4][O--][V+4]([O--]3)[O--][V+4]([O--][V+4])([O--]1)[O--][V+4]6[O--][V+4]([O--]5)[O--][V+4]([O--]2)([O--][V+4](=[O--])[O--]6)[O--]4
InChi:	InChI=1S/51O.20V/q32*-2
Synonyms:	VUF-6884
Definition date:	2024-06-03
Last modified:	2024-06-21
Release date:	2024-06-26

FO6

FO6
Name:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Formula:	C27 H36 O3
SMILES:	CC(C)(O)C#CC#C[C]1(C)CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C
InChi:	InChI=1S/C27H36O3/c1-19-21(17-22(28)18-24(19)29)11-10-20-9-8-15-27(5)23(20)12-16-26(27,4)14-7-6-13-25(2,3)30/h10-11,22-24,28-30H,1,8-9,12,15-18H2,2-5H3/b20-10+,21-11-/t22-,23+,24+,26+,27+/m1/s1
Definition date:	2023-07-20
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

JSL

JSL
Name:	~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Formula:	C20 H23 N5 O4 S
SMILES:	COc1ccc(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c(OC)c1
InChi:	InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-16(18)24-20-22-12-21-19(25-20)23-15-10-9-14(28-3)11-17(15)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25)
Definition date:	2023-08-09
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine

JT4

JT4
Name:	~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Formula:	C20 H23 N5 O4 S
SMILES:	COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1
InChi:	InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-15(18)23-19-21-12-22-20(25-19)24-16-11-14(28-3)9-10-17(16)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25)
Definition date:	2023-08-09
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine

JTR

JTR
Name:	~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Formula:	C19 H21 N5 O3 S
SMILES:	COc1ccccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2
InChi:	InChI=1S/C19H21N5O3S/c1-13(2)28(25,26)17-11-7-5-9-15(17)23-19-21-12-20-18(24-19)22-14-8-4-6-10-16(14)27-3/h4-13H,1-3H3,(H2,20,21,22,23,24)
Definition date:	2023-08-09
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine

JUA

JUA
Name:	(2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide
Formula:	C26 H36 N8 O5 S
SMILES:	COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)CCCNC(=O)[CH](N)CCCCN)n2)c1
InChi:	InChI=1S/C26H36N8O5S/c1-38-18-11-12-22(39-2)21(16-18)33-26-31-17-30-25(34-26)32-20-9-3-4-10-23(20)40(36,37)15-7-14-29-24(35)19(28)8-5-6-13-27/h3-4,9-12,16-17,19H,5-8,13-15,27-28H2,1-2H3,(H,29,35)(H2,30,31,32,33,34)/t19-/m0/s1
Definition date:	2023-08-09
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	(2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide

WVN

WVN
Name:	1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
Formula:	C40 H56
SMILES:	CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=C[CH]2C(=CCCC2(C)C)C
InChi:	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1
Synonyms:	ALPHA-CAROTENE
Definition date:	2023-10-17
Last modified:	2024-06-19
Release date:	2024-05-29
Identifier:	1,3,3-trimethyl-2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R})-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

YI7

YI7
Name:	(3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid
Formula:	C39 H44 Cl F N4 O5
SMILES:	Fc1ccc2c(c1)cccc2OCCCc1c2ccc(Cl)c3c4c(CC)n(C)nc4C(CCN4CCOCC4)OCCCCn(c1C(=O)O)c23
InChi:	InChI=1S/C39H44ClFN4O5/c1-3-31-35-34-30(40)14-13-29-28(9-7-21-49-32-10-6-8-25-24-26(41)11-12-27(25)32)38(39(46)47)45(37(29)34)16-4-5-20-50-33(36(35)42-43(31)2)15-17-44-18-22-48-23-19-44/h6,8,10-14,24,33H,3-5,7,9,15-23H2,1-2H3,(H,46,47)/t33-/m1/s1
Definition date:	2023-06-19
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	(3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid

O2I

O2I
Name:	4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile
Formula:	C20 H13 F2 N3 O2
SMILES:	CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(cc3)C#N
InChi:	InChI=1S/C20H13F2N3O2/c1-25-18(7-6-12-2-4-13(11-23)5-3-12)24-17(20(25)27)10-14-8-15(21)19(26)16(22)9-14/h2-10,26H,1H3/b7-6+,17-10-
Definition date:	2023-01-20
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile

VTE

VTE
Name:	~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide
Formula:	C22 H22 N2 O6
SMILES:	Oc1cc(cc(O)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4
InChi:	InChI=1S/C22H22N2O6/c25-16-10-15(11-17(26)21(16)28)20(27)19-12-14-9-13(3-4-18(14)30-19)22(29)23-5-8-24-6-1-2-7-24/h3-4,9-12,25-26,28H,1-2,5-8H2,(H,23,29)
Definition date:	2023-03-31
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide

YMH

YMH
Name:	~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide
Formula:	C23 H22 N4 O3
SMILES:	CC(C)c1cc(Oc2ccncc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34
InChi:	InChI=1S/C23H22N4O3/c1-14(2)17-13-20(30-16-7-9-24-10-8-16)15(3)12-18(17)25-22(28)21-19-6-4-5-11-27(19)26-23(21)29/h4-14H,1-3H3,(H,25,28)(H,26,29)
Definition date:	2023-12-05
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide

VTR

VTR
Name:	2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide
Formula:	C22 H20 Br2 N2 O6
SMILES:	Oc1c(O)c(Br)c(c(Br)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4
InChi:	InChI=1S/C22H20Br2N2O6/c23-16-15(17(24)20(29)21(30)19(16)28)18(27)14-10-12-9-11(3-4-13(12)32-14)22(31)25-5-8-26-6-1-2-7-26/h3-4,9-10,28-30H,1-2,5-8H2,(H,25,31)
Definition date:	2023-03-31
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide

Z5X

Z5X
Name:	2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate
Formula:	C20 H16 F7 N3 O3
SMILES:	CN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)C1=O
InChi:	InChI=1S/C20H16F7N3O3/c1-28-7-8-30(17(28)31)15-10-11(19(22,23)24)9-14(20(25,26)27)16(15)33-18(32)29(2)13-5-3-12(21)4-6-13/h3-6,9-10H,7-8H2,1-2H3
Definition date:	2023-03-06
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate

A1AEU

A1AEU
Name:	1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one
Formula:	C20 H25 F3 N2 O2
SMILES:	FC(F)(F)c1cc2C(=O)C3(CCN(CC3)CC3CCOCC3)N(C)c2cc1
InChi:	InChI=1S/C20H25F3N2O2/c1-24-17-3-2-15(20(21,22)23)12-16(17)18(26)19(24)6-8-25(9-7-19)13-14-4-10-27-11-5-14/h2-3,12,14H,4-11,13H2,1H3
Definition date:	2024-02-15
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one

A1AEV

A1AEV
Name:	1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
Formula:	C21 H26 F3 N3 O3
SMILES:	FC(F)(F)c1ccc(cc1)N1C(=O)C2(CCN(CC2)CC2CCOCC2)N(C)C1=O
InChi:	InChI=1S/C21H26F3N3O3/c1-25-19(29)27(17-4-2-16(3-5-17)21(22,23)24)18(28)20(25)8-10-26(11-9-20)14-15-6-12-30-13-7-15/h2-5,15H,6-14H2,1H3
Definition date:	2024-02-15
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

YC0

YC0
Name:	methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate
Formula:	C33 H46 N2 O6
SMILES:	COC(=O)[CH](CO)NC(=O)N[C]1(C)CC[C]2(C)CC[C]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C]4(C)CC[C]3(C)[CH]2C1)C
InChi:	InChI=1S/C33H46N2O6/c1-19-20-8-9-24-31(4,21(20)16-23(37)26(19)38)13-15-33(6)25-17-30(3,12-10-29(25,2)11-14-32(24,33)5)35-28(40)34-22(18-36)27(39)41-7/h8-9,16,22,25,36,38H,10-15,17-18H2,1-7H3,(H2,34,35,40)/t22-,25+,29+,30+,31-,32+,33-/m0/s1
Definition date:	2023-11-29
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate

YCC

YCC
Name:	methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate
Formula:	C34 H46 N2 O6
SMILES:	COC(=O)C1(COC1)NC(=O)N[C]2(C)CC[C]3(C)CC[C]4(C)C5=CC=C6C(=C(O)C(=O)C=C6[C]5(C)CC[C]4(C)[CH]3C2)C
InChi:	InChI=1S/C34H46N2O6/c1-20-21-8-9-24-31(4,22(21)16-23(37)26(20)38)13-15-33(6)25-17-30(3,12-10-29(25,2)11-14-32(24,33)5)35-28(40)36-34(18-42-19-34)27(39)41-7/h8-9,16,25,38H,10-15,17-19H2,1-7H3,(H2,35,36,40)/t25-,29-,30-,31+,32-,33+/m1/s1
Definition date:	2023-11-29
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate

A1AUZ

A1AUZ
Name:	N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide
Formula:	C12 H9 Cl N4 O4 S2
SMILES:	CC=1ONC(=O)C=1S(=O)(=O)Nc1cccc(c1)c1nnsc1Cl
InChi:	InChI=1S/C12H9ClN4O4S2/c1-6-10(12(18)15-21-6)23(19,20)16-8-4-2-3-7(5-8)9-11(13)22-17-14-9/h2-5,16H,1H3,(H,15,18)
Definition date:	2024-06-12
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide

NI4

NI4
Name:	(5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one
Formula:	C22 H23 N3 O2
SMILES:	CN(CCO)c1ccc(cc1)C=C2N=C(C=Cc3ccccc3)N(C)C2=O
InChi:	InChI=1S/C22H23N3O2/c1-24(14-15-26)19-11-8-18(9-12-19)16-20-22(27)25(2)21(23-20)13-10-17-6-4-3-5-7-17/h3-13,16,26H,14-15H2,1-2H3/b13-10+,20-16-
Definition date:	2023-01-17
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	(5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one

<297 298 299 300 301 302 303304305 306 307 308 309 310 311 312 >

243083

数据于2025-10-15公开中

PDB statistics

PDBj update info

Contact PDBj

numon