Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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: 36565 results BIRD

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

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

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

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

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

106

106
Name:	4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide
Formula:	C14 H11 Br N4 O3 S
SMILES:	N1C(/C(c2cc(ccc12)Br)=NNc3ccc(cc3)S(=O)(=O)N)=O
InChi:	InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
Definition date:	2000-10-03
Last modified:	2020-09-09
Identifier:	4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide

TZS

TZS
Name:	N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
Formula:	C16 H25 N5 O4 S
SMILES:	c21c(ncnc1CC(OC)=C(C2)OC)N3CCC(CC3)CNS(=O)(N)=O
InChi:	InChI=1S/C16H25N5O4S/c1-24-14-7-12-13(8-15(14)25-2)18-10-19-16(12)21-5-3-11(4-6-21)9-20-26(17,22)23/h10-11,20H,3-9H2,1-2H3,(H2,17,22,23)
Definition date:	2020-04-03
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide

TZV

TZV
Name:	N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
Formula:	C16 H15 N3 O4 S
SMILES:	c1cc(NS(=O)(=O)N)ccc1Oc3c2ccc(OC)cc2ncc3
InChi:	InChI=1S/C16H15N3O4S/c1-22-13-6-7-14-15(10-13)18-9-8-16(14)23-12-4-2-11(3-5-12)19-24(17,20)21/h2-10,19H,1H3,(H2,17,20,21)
Definition date:	2020-04-03
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide

U23

U23
Name:	URIDINE-5'-MONOPHOSPHATE-2',3'-CYCLIC PHOSPHATE
Formula:	C9 H12 N2 O11 P2
SMILES:	N1(C(=O)NC(=O)C=C1)C3C2C(OP(O2)(=O)O)C(O3)COP(=O)(O)O
InChi:	InChI=1S/C9H12N2O11P2/c12-5-1-2-11(9(13)10-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H,10,12,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
Definition date:	2020-07-31
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	[(2S,3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate

QTH

QTH
Name:	1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine
Formula:	C22 H23 N2
SMILES:	C1CCN(C1)c2cc[n+](Cc3ccc(cc3)c4ccccc4)cc2
InChi:	InChI=1S/C22H23N2/c1-2-6-20(7-3-1)21-10-8-19(9-11-21)18-23-16-12-22(13-17-23)24-14-4-5-15-24/h1-3,6-13,16-17H,4-5,14-15,18H2/q+1
Definition date:	2020-08-06
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridin-1-ium

QTK

QTK
Name:	1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium
Formula:	C16 H19 N2
SMILES:	C1CCN(C1)c2cc[n+](Cc3ccccc3)cc2
InChi:	InChI=1S/C16H19N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-9,12-13H,4-5,10-11,14H2/q+1
Definition date:	2020-08-07
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium

UK1

UK1
Name:	3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one
Formula:	C47 H49 F2 N11 O5
SMILES:	c1(cc(cc(c1F)C)n7c(c2c(CCN(C2C)C(c5cc3c(ccc(c3)N4CCOC(C4)(C)C)n5C(CCC)C6=NOC(N6)=O)=O)n7)N8C=CN(C8=O)c9c(c%10c(cc9)n(C)nc%10)F)C
InChi:	InChI=1S/C47H49F2N11O5/c1-8-9-37(42-51-45(62)65-53-42)59-34-11-10-30(55-18-19-64-47(5,6)25-55)22-29(34)23-38(59)44(61)56-15-14-33-39(28(56)4)43(60(52-33)31-20-26(2)40(48)27(3)21-31)58-17-16-57(46(58)63)36-13-12-35-32(41(36)49)24-50-54(35)7/h10-13,16-17,20-24,28,37H,8-9,14-15,18-19,25H2,1-7H3,(H,51,53,62)/t28-,37-/m0/s1
Definition date:	2020-05-19
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one

UK4

UK4
Name:	2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid
Formula:	C31 H30 F N5 O4
SMILES:	C1OC(C1)Cn6c(CN4CCC(c3cccc(OCc2c(cc(cc2)C#N)F)n3)CC4)nc5c6cc(C(O)=O)cc5
InChi:	InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1
Definition date:	2020-05-19
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid

V0G

V0G
Name:	N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide
Formula:	C31 H30 Cl N7 O2
SMILES:	c1c(ccc(c1)NC(=O)CCCN(C)C)C(=O)Nc2cccc(c2)Nc3nc(c(Cl)cn3)c4c5c(nc4)cccc5
InChi:	InChI=1S/C31H30ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-5,7-10,12-15,17-19,33H,6,11,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)
Definition date:	2020-06-10
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide

OOH

OOH
Name:	3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione
Formula:	C15 H14 O7
SMILES:	CCCCC(=O)C1=C(O)C(=O)c2c(O)c(O)cc(O)c2C1=O
InChi:	InChI=1S/C15H14O7/c1-2-3-4-6(16)10-13(20)9-7(17)5-8(18)12(19)11(9)15(22)14(10)21/h5,17-19,21H,2-4H2,1H3
Definition date:	2020-03-25
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione

OSW

OSW
Name:	Metala-Carborane di-propyl-sulfonamide
Formula:	C10 H16 B18 Co N2 O4 S2
SMILES:	N[S](=O)(=O)CCC[C++]123[C+]45[B]678[B]149[B]6%10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%13%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%27%28[B]%25%29%30[B]%21%26%31[B]%29%32%33[B]%27%30%34[B]%18%32([B]%19%22%31%33)[C++]%24%28%34CCC[S](N)(=O)=O
InChi:	InChI=1S/2C5H8B9NO2S.Co/c2*15-18(16,17)3-1-2-5-4-6-8-7(5)11(5)9(4,5)10(4,6)12(6,8)13(7,8,11)14(9,10,11)12
Definition date:	2020-04-02
Last modified:	2020-09-04
Release date:	2020-09-09

OWK

OWK
Name:	Metala-Carborane di-ethyl-sulfonamide
Formula:	C8 H15 B18 Co N2 O4 S2
SMILES:	C[C++]1(CC[S](N)(=O)=O)[B]23B4B5B6[B]247[B-]38[B]679B%10[B]189[Co]5%10%11%12B%13[C++]%14(C[B]%11%15%16B%17B%18[B][B-]%14%18B%19[B]%15%17[B]%12%13%16%19)CC[S](N)(=O)=O
InChi:	InChI=1S/2C4H8B9NO2S.Co/c1-4(2-3-17(14,15)16)9-6-12(9)8-5-7-10(4)11(9,12)13(7,8,10)12
Definition date:	2020-04-06
Last modified:	2020-09-04
Release date:	2020-09-09

OY5

OY5
Name:	CA IX mimic
Formula:	C8 H12 B18 Co N2 O4 S2
SMILES:	N[S](=O)(=O)CC[C++]123[C+]45[B]678[B]149[B]6%10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%13%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%27%28[B]%25%29%30[B]%21%26%31[B]%29%32%33[B]%27%30%34[B]%18%32([B]%19%22%31%33)[C++]%24%28%34CC[S](N)(=O)=O
InChi:	InChI=1S/2C4H6B9NO2S.Co/c2*14-17(15,16)2-1-4-3-5-7-6(4)10(4)8(3,4)9(3,5)11(5,7)12(6,7,10)13(8,9,10)11
Definition date:	2020-04-07
Last modified:	2020-09-04
Release date:	2020-09-09

OY8

OY8
Name:	Metala-Carborane di-ethyl-sulfonamide
Formula:	C8 H12 B18 Co N2 O4 S2
SMILES:	N[S](=O)(=O)CC[C++]123[C+]45[B]678[B]149[B]6%10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%13%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%27%28[B]%25%29%30[B]%21%26%31[B]%29%32%33[B]%27%30%34[B]%18%32([B]%19%22%31%33)[C++]%24%28%34CC[S](N)(=O)=O
InChi:	InChI=1S/2C4H6B9NO2S.Co/c2*14-17(15,16)2-1-4-3-5-7-6(4)10(4)8(3,4)9(3,5)11(5,7)12(6,7,10)13(8,9,10)11
Definition date:	2020-04-07
Last modified:	2020-09-04
Release date:	2020-09-09

Q9D

Q9D
Name:	benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
Formula:	C18 H18 N2 O5
SMILES:	c1c(cc(cc1)CC(C(C)=O)NC(=O)OCc2ccccc2)[N+](=O)[O-]
InChi:	InChI=1S/C18H18N2O5/c1-13(21)17(11-15-8-5-9-16(10-15)20(23)24)19-18(22)25-12-14-6-3-2-4-7-14/h2-10,17H,11-12H2,1H3,(H,19,22)/t17-/m0/s1
Definition date:	2019-10-07
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate

<500 501 502 503 504 505 506507508 509 510 511 512 513 514 515 >

223790

건을2024-08-14부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon