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: 36438 results BIRD

VKS

VKS
Name:	(3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
Formula:	C18 H24 Cl N7 O S
SMILES:	c1cc(c(c(N)n1)Cl)Sc2ncc(nc2N)N4CCC3(C(C(OC3)C)N)CC4
InChi:	InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1
Definition date:	2020-08-24
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	(3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

H8Q

H8Q
Name:	~{N}-[(3~{S},6~{R},12~{R},15~{S},16~{S},19~{S},22~{S},25~{S})-25-[[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide
Formula:	C53 H67 N9 O10 S
SMILES:	CC[CH]1NC(=O)[CH](NC(=O)c2ncccc2O)[CH](C)OC(=O)[CH](NC(=O)[CH]3CC(=O)[CH](CS[CH]4CN5CCC4CC5)CN3C(=O)[CH](Cc6ccc(cc6)N(C)C)N(C)C(=O)[CH]7CCCN7C1=O)c8ccccc8
InChi:	InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37+,38+,39-,40-,43+,44-,45-/m0/s1
Synonyms:	quinupristin
Definition date:	2018-11-26
Last modified:	2020-09-16
Release date:	2020-07-08
Identifier:	~{N}-[(3~{S},6~{R},12~{R},15~{S},16~{S},19~{S},22~{S},25~{S})-25-[[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide

N1Q

N1Q
Name:	5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide
Formula:	C23 H26 F2 N4 O2
SMILES:	COCCN1CCC(CC1)CNC(=O)c2n[nH]c3ccc(cc23)c4cccc(F)c4F
InChi:	InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
Definition date:	2019-11-06
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide

OQE

OQE
Name:	[2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid
Formula:	C16 H18 N O5 P
SMILES:	O[P](O)(=O)c1ccccc1OCC(=O)NCCc2ccccc2
InChi:	InChI=1S/C16H18NO5P/c18-16(17-11-10-13-6-2-1-3-7-13)12-22-14-8-4-5-9-15(14)23(19,20)21/h1-9H,10-12H2,(H,17,18)(H2,19,20,21)
Definition date:	2020-03-27
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	[2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid

LN4

LN4
Name:	1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea
Formula:	C25 H21 F4 N7 O3 S
SMILES:	CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c3ccnc(Nc4cccc(c4)[S](N)(=O)=O)n3
InChi:	InChI=1S/C25H21F4N7O3S/c1-36(22-11-12-31-23(35-22)32-17-3-2-4-19(14-17)40(30,38)39)18-8-6-16(7-9-18)33-24(37)34-21-13-15(25(27,28)29)5-10-20(21)26/h2-14H,1H3,(H2,30,38,39)(H,31,32,35)(H2,33,34,37)
Definition date:	2019-03-05
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea

DY9

DY9
Name:	Fluostatin C
Formula:	C18 H12 O6
SMILES:	C[C]12O[CH]1[CH](O)c3c(cc(O)c4c5c(O)cccc5C(=O)c34)C2=O
InChi:	InChI=1S/C18H12O6/c1-18-16(23)7-5-9(20)12-10-6(3-2-4-8(10)19)14(21)13(12)11(7)15(22)17(18)24-18/h2-5,15,17,19-20,22H,1H3/t15-,17+,18-/m1/s1
Definition date:	2019-09-18
Last modified:	2020-09-11
Release date:	2020-09-16

QDH

QDH
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Formula:	C20 H24 Cl F N4 O9 P2
SMILES:	C[CH](Nc1cc(Cl)nc2n(ncc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c4ccccc4F
InChi:	InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
Definition date:	2020-06-08
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

QGE

QGE
Name:	[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
Formula:	C18 H17 N O4 S
SMILES:	CCCc1cc2C(=O)C(=COc2cc1OC(C)=O)c3scc(C)n3
InChi:	InChI=1S/C18H17NO4S/c1-4-5-12-6-13-16(7-15(12)23-11(3)20)22-8-14(17(13)21)18-19-10(2)9-24-18/h6-9H,4-5H2,1-3H3
Definition date:	2020-06-16
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate

QGW

QGW
Name:	[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
Formula:	C19 H19 N O4 S
SMILES:	CCCc1cc2C(=O)C(=C(C)Oc2cc1OC(C)=O)c3scc(C)n3
InChi:	InChI=1S/C19H19NO4S/c1-5-6-13-7-14-16(8-15(13)24-12(4)21)23-11(3)17(18(14)22)19-20-10(2)9-25-19/h7-9H,5-6H2,1-4H3
Definition date:	2020-06-16
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate

QWQ

QWQ
Name:	4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
Formula:	C26 H30 N2 O3
SMILES:	COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(CN4CCCC4)cc3
InChi:	InChI=1S/C26H30N2O3/c1-18-22(20-9-7-19(8-10-20)17-28-11-5-6-12-28)15-27-16-23(18)21-13-24(29-2)26(31-4)25(14-21)30-3/h7-10,13-16H,5-6,11-12,17H2,1-4H3
Definition date:	2020-08-14
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine

Q25

Q25
Name:	6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
Formula:	C18 H20 Cl N3 O S
SMILES:	CCCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1
InChi:	InChI=1S/C18H20ClN3OS/c1-2-3-4-5-6-17-21-14(11-24-17)10-22-12-20-16-8-7-13(19)9-15(16)18(22)23/h7-9,11-12H,2-6,10H2,1H3
Definition date:	2020-05-06
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	6-chloranyl-3-[(2-hexyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one

Q3J

Q3J
Name:	12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one
Formula:	C16 H20 B F2 N3 O
SMILES:	CCN(CC)c1ccc2C=C3C(=O)N(C)C(=[N+]3[B-](F)(F)c2c1)C
InChi:	InChI=1S/C16H20BF2N3O/c1-5-21(6-2)13-8-7-12-9-15-16(23)20(4)11(3)22(15)17(18,19)14(12)10-13/h7-10H,5-6H2,1-4H3
Definition date:	2019-09-13
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one

Q4E

Q4E
Name:	3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one
Formula:	C16 H16 Cl N3 O S
SMILES:	CC(C)(C)c1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1
InChi:	InChI=1S/C16H16ClN3OS/c1-16(2,3)15-19-11(8-22-15)7-20-9-18-13-5-4-10(17)6-12(13)14(20)21/h4-6,8-9H,7H2,1-3H3
Definition date:	2020-05-07
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one

Q4T

Q4T
Name:	2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid
Formula:	C26 H22 Cl F3 N2 O4
SMILES:	OC(=O)Cc1cc(F)ccc1NC(=O)c2cccc(c2F)c3cc(O[CH]4CCCNC4)c(Cl)cc3F
InChi:	InChI=1S/C26H22ClF3N2O4/c27-20-12-21(29)19(11-23(20)36-16-3-2-8-31-13-16)17-4-1-5-18(25(17)30)26(35)32-22-7-6-15(28)9-14(22)10-24(33)34/h1,4-7,9,11-12,16,31H,2-3,8,10,13H2,(H,32,35)(H,33,34)/t16-/m1/s1
Definition date:	2020-05-11
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid

Q4W

Q4W
Name:	6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
Formula:	C15 H16 Cl N3 O S
SMILES:	CC(C)[CH]1NC(=CS1)CN2C=Nc3ccc(Cl)cc3C2=O
InChi:	InChI=1S/C15H16ClN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-4-3-10(16)5-12(13)15(19)20/h3-5,7-9,14,18H,6H2,1-2H3/t14-/m0/s1
Definition date:	2020-05-12
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one

Q6H

Q6H
Name:	5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide
Formula:	C18 H17 F N2 O3 Se
SMILES:	Fc1ccc([SeH])c(c1)C(=O)Nc2cccc(c2)C(=O)N3CCOCC3
InChi:	InChI=1S/C18H17FN2O3Se/c19-13-4-5-16(25)15(11-13)17(22)20-14-3-1-2-12(10-14)18(23)21-6-8-24-9-7-21/h1-5,10-11,25H,6-9H2,(H,20,22)
Definition date:	2020-05-22
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide

Q7N

Q7N
Name:	~{N}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide
Formula:	C15 H15 N O2 Se
SMILES:	COc1cccc(CNC(=O)c2ccccc2[SeH])c1
InChi:	InChI=1S/C15H15NO2Se/c1-18-12-6-4-5-11(9-12)10-16-15(17)13-7-2-3-8-14(13)19/h2-9,19H,10H2,1H3,(H,16,17)
Definition date:	2020-05-26
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	~{N}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide

Q7T

Q7T
Name:	~{N}-(phenylmethyl)-2-selanyl-benzamide
Formula:	C14 H13 N O Se
SMILES:	[SeH]c1ccccc1C(=O)NCc2ccccc2
InChi:	InChI=1S/C14H13NOSe/c16-14(12-8-4-5-9-13(12)17)15-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H,15,16)
Definition date:	2020-05-26
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	~{N}-(phenylmethyl)-2-selanyl-benzamide

Q7W

Q7W
Name:	~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide
Formula:	C14 H12 Cl N O Se
SMILES:	Clc1cccc(CNC(=O)c2ccccc2[SeH])c1
InChi:	InChI=1S/C14H12ClNOSe/c15-11-5-3-4-10(8-11)9-16-14(17)12-6-1-2-7-13(12)18/h1-8,18H,9H2,(H,16,17)
Definition date:	2020-05-26
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide

Q85

Q85
Name:	~{N}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide
Formula:	C15 H15 N O2 Se
SMILES:	COc1ccc(CNC(=O)c2ccccc2[SeH])cc1
InChi:	InChI=1S/C15H15NO2Se/c1-18-12-8-6-11(7-9-12)10-16-15(17)13-4-2-3-5-14(13)19/h2-9,19H,10H2,1H3,(H,16,17)
Definition date:	2020-05-26
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	~{N}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide

Q8E

Q8E
Name:	~{N}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide
Formula:	C14 H14 N2 O2 Se
SMILES:	COc1ccc(CNC(=O)c2ccccc2[SeH])cn1
InChi:	InChI=1S/C14H14N2O2Se/c1-18-13-7-6-10(8-15-13)9-16-14(17)11-4-2-3-5-12(11)19/h2-8,19H,9H2,1H3,(H,16,17)
Definition date:	2020-05-26
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	~{N}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide

Q8H

Q8H
Name:	~{N}-(pyridin-3-ylmethyl)-2-selanyl-benzamide
Formula:	C13 H12 N2 O Se
SMILES:	[SeH]c1ccccc1C(=O)NCc2cccnc2
InChi:	InChI=1S/C13H12N2OSe/c16-13(11-5-1-2-6-12(11)17)15-9-10-4-3-7-14-8-10/h1-8,17H,9H2,(H,15,16)
Definition date:	2020-05-26
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	~{N}-(pyridin-3-ylmethyl)-2-selanyl-benzamide

QAE

QAE
Name:	6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
Formula:	C17 H18 Cl N3 O S
SMILES:	CCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1
InChi:	InChI=1S/C17H18ClN3OS/c1-2-3-4-5-16-20-13(10-23-16)9-21-11-19-15-7-6-12(18)8-14(15)17(21)22/h6-8,10-11H,2-5,9H2,1H3
Definition date:	2020-05-29
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	6-chloranyl-3-[(2-pentyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one

PJK

PJK
Name:	(3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
Formula:	C12 H11 Cl F3 N O2
SMILES:	OC(=O)[CH]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F)F
InChi:	InChI=1S/C12H11ClF3NO2/c13-10-2-1-8(5-9(10)12(14,15)16)17-4-3-7(6-17)11(18)19/h1-2,5,7H,3-4,6H2,(H,18,19)/t7-/m0/s1
Definition date:	2020-04-22
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	(3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

SNZ

SNZ
Name:	N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea
Formula:	C15 H16 N2 O5
SMILES:	N(c1cc(c(O)cc1)O)C(=O)NCCc2ccc(c(c2)O)O
InChi:	InChI=1S/C15H16N2O5/c18-11-3-1-9(7-13(11)20)5-6-16-15(22)17-10-2-4-12(19)14(21)8-10/h1-4,7-8,18-21H,5-6H2,(H2,16,17,22)
Definition date:	2019-09-19
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea

<494 495 496 497 498 499 500501502 503 504 505 506 507 508 509 >

222624

数据于2024-07-17公开中

PDB statistics

PDBj update info

Contact PDBj

numon