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: 35267 results BIRD

K9I

K9I
Name:	(3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one
Formula:	C26 H40 O7
SMILES:	CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)c2cccc(C[CH](O)[CH](O)C(=O)O1)c2)OC
InChi:	InChI=1S/C26H40O7/c1-6-17(15-27)10-16(2)22-13-20(32-5)14-23(29)26(3,4)19-9-7-8-18(11-19)12-21(28)24(30)25(31)33-22/h7-11,17,20-24,27-30H,6,12-15H2,1-5H3/b16-10-/t17-,20-,21-,22+,23+,24+/m1/s1
Definition date:	2022-05-23
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(3~{R},4~{S},7~{S},9~{S},11~{S})-7-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-9-methoxy-12,12-dimethyl-3,4,11-tris(oxidanyl)-6-oxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one

KGL

KGL
Name:	(1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione
Formula:	C30 H25 F3 N6 O2
SMILES:	FC(F)(F)c1cc2ccc1C(=O)NCCCCn3cc(cn3)c4cnc5ccc(CC[N]6N=C2C=CC6=O)cc5c4
InChi:	InChI=1S/C30H25F3N6O2/c31-30(32,33)25-15-20-4-5-24(25)29(41)34-10-1-2-11-38-18-23(17-36-38)22-14-21-13-19(3-6-26(21)35-16-22)9-12-39-28(40)8-7-27(20)37-39/h3-8,13-18H,1-2,9-12H2,(H,34,41)
Definition date:	2022-09-20
Last modified:	2022-11-18
Release date:	2022-11-23

875

875
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Formula:	C15 H26 N6 O13 P2
SMILES:	NC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C15H26N6O13P2/c16-1-6(22)10(24)7(23)2-31-35(27,28)34-36(29,30)32-3-8-11(25)12(26)15(33-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-26H,1-3,16H2,(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7+,8+,10-,11+,12+,15+/m0/s1
Definition date:	2021-11-26
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

KVU

KVU
Name:	1-(2,4-dichlorophenyl)-3-oxidanyl-urea
Formula:	C7 H6 Cl2 N2 O2
SMILES:	ONC(=O)Nc1ccc(Cl)cc1Cl
InChi:	InChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
Definition date:	2022-06-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-(2,4-dichlorophenyl)-3-oxidanyl-urea

QIA

QIA
Name:	5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid
Formula:	C19 H14 N4 O2
SMILES:	OC(=O)c1ccc2c(c1)nc(NCc3ccccc3)c4ncncc24
InChi:	InChI=1S/C19H14N4O2/c24-19(25)13-6-7-14-15-10-20-11-22-17(15)18(23-16(14)8-13)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,23)(H,24,25)
Definition date:	2022-10-31
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid

QO6

QO6
Name:	N-(2,3-dihydro-1H-inden-5-yl)acetamide
Formula:	C11 H13 N O
SMILES:	CC(=O)Nc1ccc2CCCc2c1
InChi:	InChI=1S/C11H13NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,12,13)
Synonyms:	~{N}-(2,3-dihydro-1~{H}-inden-5-yl)ethanamide
Definition date:	2022-11-09
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-(2,3-dihydro-1~{H}-inden-5-yl)ethanamide

9MI

9MI
Name:	1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene
Formula:	C10 H16
SMILES:	CC(C)C1=CC=C(C)CC1
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
Definition date:	2021-10-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene

9NI

9NI
Name:	1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
Formula:	C10 H16
SMILES:	CC1=CCC(=CC1)C(C)C
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
Definition date:	2021-10-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene

9PJ

9PJ
Name:	5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile
Formula:	C22 H15 F7 N4 O3
SMILES:	FC(F)C(F)(F)C=1N=CN(CC2C=C(F)C(=O)N=C2C)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F
InChi:	InChI=1S/C22H15F7N4O3/c1-9-12(6-30)3-11(18(24)25)5-15(9)36-16-17(22(28,29)21(26)27)31-8-33(20(16)35)7-13-4-14(23)19(34)32-10(13)2/h3-5,8,13,18,21H,7H2,1-2H3/t13-/m0/s1
Definition date:	2021-10-25
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile

9PS

9PS
Name:	4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol
Formula:	C18 H14 O2
SMILES:	Oc1ccc(C=Cc2ccc3ccccc3c2)cc1O
InChi:	InChI=1S/C18H14O2/c19-17-10-8-14(12-18(17)20)6-5-13-7-9-15-3-1-2-4-16(15)11-13/h1-12,19-20H/b6-5+
Definition date:	2021-11-19
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol

9QI

9QI
Name:	5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile
Formula:	C21 H13 F7 N4 O3
SMILES:	FC(F)C(F)(F)C=1N=CN(CC2=CC(F)=CNC2=O)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F
InChi:	InChI=1S/C21H13F7N4O3/c1-9-11(5-29)2-10(17(23)24)4-14(9)35-15-16(21(27,28)20(25)26)31-8-32(19(15)34)7-12-3-13(22)6-30-18(12)33/h2-4,6,8,17,20H,7H2,1H3,(H,30,33)
Definition date:	2021-10-25
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile

9RJ

9RJ
Name:	4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol
Formula:	C18 H14 O2
SMILES:	Oc1ccc(C=Cc2cccc3ccccc23)cc1O
InChi:	InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+
Definition date:	2021-11-19
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol

QRD

QRD
Name:	8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C19 H19 Cl F3 N5 O
SMILES:	CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cc(ccc3Cl)C(F)(F)F
InChi:	InChI=1S/C19H19ClF3N5O/c1-25-18-26-10-11-8-14(13-9-12(19(21,22)23)4-5-15(13)20)17(29)28(16(11)27-18)7-3-2-6-24/h4-5,8-10H,2-3,6-7,24H2,1H3,(H,25,26,27)
Definition date:	2022-11-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

QRR

QRR
Name:	8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C18 H20 Cl N5 O
SMILES:	CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3ccccc3Cl
InChi:	InChI=1S/C18H20ClN5O/c1-21-18-22-11-12-10-14(13-6-2-3-7-15(13)19)17(25)24(16(12)23-18)9-5-4-8-20/h2-3,6-7,10-11H,4-5,8-9,20H2,1H3,(H,21,22,23)
Definition date:	2022-11-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

9ZL

9ZL
Name:	~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Formula:	C19 H17 Cl F3 N3 O S
SMILES:	CC(C)Oc1ccc(cc1Cl)c2sc(CNc3ccnc(c3)C(F)(F)F)cn2
InChi:	InChI=1S/C19H17ClF3N3OS/c1-11(2)27-16-4-3-12(7-15(16)20)18-26-10-14(28-18)9-25-13-5-6-24-17(8-13)19(21,22)23/h3-8,10-11H,9H2,1-2H3,(H,24,25)
Definition date:	2021-11-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

P0I

P0I
Name:	4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide
Formula:	C26 H33 N3 O3
SMILES:	O=C(Nc1ccccc1)N1CCN(CC1)C(=O)c1cccc(OCCC2CCCCC2)c1
InChi:	InChI=1S/C26H33N3O3/c30-25(22-10-7-13-24(20-22)32-19-14-21-8-3-1-4-9-21)28-15-17-29(18-16-28)26(31)27-23-11-5-2-6-12-23/h2,5-7,10-13,20-21H,1,3-4,8-9,14-19H2,(H,27,31)
Definition date:	2022-05-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide

0UR

0UR
Name:	Siphonein
Formula:	C52 H76 O5
SMILES:	CCCCCCCCCC=CC(=O)OCC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]1C(=C[CH](O)CC1(C)C)C)C(=O)CC2=C(C)C[CH](O)CC2(C)C
InChi:	InChI=1S/C52H76O5/c1-11-12-13-14-15-16-17-18-19-30-50(56)57-38-44(49(55)35-48-43(6)34-46(54)37-52(48,9)10)29-23-28-40(3)25-21-20-24-39(2)26-22-27-41(4)31-32-47-42(5)33-45(53)36-51(47,7)8/h19-33,45-47,53-54H,11-18,34-38H2,1-10H3/b21-20+,26-22+,28-23+,30-19-,32-31+,39-24+,40-25+,41-27+,44-29+/t45-,46+,47-/m0/s1
Definition date:	2022-01-21
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	[(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-6,11,15-trimethyl-17-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-2-[2-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]ethanoyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] (~{Z})-dodec-2-enoate

A0F

A0F
Name:	N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Formula:	C22 H16 F3 N3 O S
SMILES:	FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(Oc4ccccc4)cc3)ccn1
InChi:	InChI=1S/C22H16F3N3OS/c23-22(24,25)20-12-16(10-11-26-20)27-13-19-14-28-21(30-19)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,26,27)
Synonyms:	N-((2-(4-phenoxyphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
Definition date:	2021-11-23
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

M0I

M0I
Name:	4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide
Formula:	C26 H27 F N4 O4
SMILES:	CN(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1F)C(=O)NO)CC(=O)NCc1ccccc1
InChi:	InChI=1S/C26H27FN4O4/c1-30(2)22-12-10-19(11-13-22)26(34)31(17-24(32)28-15-18-6-4-3-5-7-18)16-21-9-8-20(14-23(21)27)25(33)29-35/h3-14,35H,15-17H2,1-2H3,(H,28,32)(H,29,33)
Definition date:	2022-03-10
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide

M0R

M0R
Name:	19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
Formula:	C21 H22 Cl N3 O5
SMILES:	Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1
InChi:	InChI=1S/C21H22ClN3O5/c1-26-19-12-16-15-11-20(19)30-9-7-28-5-4-27-6-8-29-18-3-2-14(22)10-17(18)25-21(15)24-13-23-16/h2-3,10-13H,4-9H2,1H3,(H,23,24,25)
Definition date:	2022-03-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine

M19

M19
Name:	4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol
Formula:	C15 H11 Cl F N3 O3
SMILES:	Clc1cc(Nc2ncnc3cc(OC)c(O)cc32)c(O)cc1F
InChi:	InChI=1S/C15H11ClFN3O3/c1-23-14-5-10-7(2-13(14)22)15(19-6-18-10)20-11-3-8(16)9(17)4-12(11)21/h2-6,21-22H,1H3,(H,18,19,20)
Definition date:	2022-03-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol

M1O

M1O
Name:	19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
Formula:	C21 H21 Cl F N3 O5
SMILES:	Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1F
InChi:	InChI=1S/C21H21ClFN3O5/c1-27-19-11-16-13-8-20(19)31-7-5-29-3-2-28-4-6-30-18-10-15(23)14(22)9-17(18)26-21(13)25-12-24-16/h8-12H,2-7H2,1H3,(H,24,25,26)
Definition date:	2022-03-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine

OEI

OEI
Name:	2-[(phenylmethyl)amino]ethanol
Formula:	C9 H13 N O
SMILES:	OCCNCc1ccccc1
InChi:	InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
Synonyms:	2-(benzylamino)ethan-1-ol
Definition date:	2022-09-06
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	2-[(phenylmethyl)amino]ethanol

OF6

OF6
Name:	1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine
Formula:	C11 H11 Cl N2 S
SMILES:	CNCc1csc(n1)c2cccc(Cl)c2
InChi:	InChI=1S/C11H11ClN2S/c1-13-6-10-7-15-11(14-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3
Synonyms:	1-(2-(3-chlorophenyl)thiazol-4-yl)-N-methylmethanamine
Definition date:	2022-09-06
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine

OG3

OG3
Name:	(1~{R})-1-(4-chlorophenyl)ethanamine
Formula:	C8 H10 Cl N
SMILES:	C[CH](N)c1ccc(Cl)cc1
InChi:	InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1
Synonyms:	(R)-1-(4-chlorophenyl)ethan-1-amine
Definition date:	2022-09-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1~{R})-1-(4-chlorophenyl)ethanamine

<214 215 216 217 218 219 220221222 223 224 225 226 227 228 229 >

222926

数据于2024-07-24公开中

PDB statistics

PDBj update info

Contact PDBj

numon