Chemie Search results for query - 日本蛋白質結構資料庫

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: 35504 results BIRD

22L

22L
Name:	5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Formula:	C12 H8 N2 O S
SMILES:	O=C2NC=Nc1scc(c12)c3ccccc3
InChi:	InChI=1S/C12H8N2OS/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15)
Definition date:	2013-08-28
Last modified:	2013-09-23
Release date:	2013-09-25
Identifier:	5-phenylthieno[2,3-d]pyrimidin-4(3H)-one

XQC

XQC
Name:	4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol
Formula:	C18 H23 N O4
SMILES:	Oc1ccc(cc1O)C(O)CNC(C)(C)Cc2ccc(O)cc2
InChi:	InChI=1S/C18H23NO4/c1-18(2,10-12-3-6-14(20)7-4-12)19-11-17(23)13-5-8-15(21)16(22)9-13/h3-9,17,19-23H,10-11H2,1-2H3/t17-/m0/s1
Definition date:	2013-07-12
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol

VO1

VO1
Name:	3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
Formula:	C16 H15 N3 O S
SMILES:	n2cccc(OCc1ccccc1)c2Nc3nc(cs3)C
InChi:	InChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19)
Definition date:	2013-09-10
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine

VO2

VO2
Name:	3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
Formula:	C17 H17 N3 O S
SMILES:	n2cc(cc(OCc1ccccc1)c2Nc3nc(cs3)C)C
InChi:	InChI=1S/C17H17N3OS/c1-12-8-15(21-10-14-6-4-3-5-7-14)16(18-9-12)20-17-19-13(2)11-22-17/h3-9,11H,10H2,1-2H3,(H,18,19,20)
Definition date:	2013-09-10
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine

1SH

1SH
Name:	2-(methylamino)ethyl dihydrogen phosphate
Formula:	C3 H10 N O4 P
SMILES:	O=P(OCCNC)(O)O
InChi:	InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)
Definition date:	2013-05-17
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	2-(methylamino)ethyl dihydrogen phosphate

1WV

1WV
Name:	(2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate
Formula:	C17 H32 O4
SMILES:	O=C(OCC(O)CO)CCCCC/C=C/CCCCCC
InChi:	InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/t16-/m0/s1
Definition date:	2013-07-12
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	(2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate

20F

20F
Name:	5-(4-fluorophenyl)-3-hydroxy-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one
Formula:	C18 H12 F N5 O2
SMILES:	Fc1ccc(cc1)C=4C=C(O)C(=O)NC=4c3ccc(c2nnnn2)cc3
InChi:	InChI=1S/C18H12FN5O2/c19-13-7-5-10(6-8-13)14-9-15(25)18(26)20-16(14)11-1-3-12(4-2-11)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)
Definition date:	2013-08-12
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	5-(4-fluorophenyl)-3-hydroxy-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one

20J

20J
Name:	7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
Formula:	C8 H7 Cl N2 O2 S
SMILES:	Clc1ccc2N=C(NS(=O)(=O)c2c1)C
InChi:	InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
Definition date:	2013-08-13
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide

0Y4

0Y4
Name:	N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide
Formula:	C20 H19 N9 O
SMILES:	O=C(Nc1c(ccc(c1)Nc2nc4c(C#N)cnn4c(c2)Nc3ncn(c3)C)C)C
InChi:	InChI=1S/C20H19N9O/c1-12-4-5-15(6-16(12)24-13(2)30)25-17-7-19(26-18-10-28(3)11-22-18)29-20(27-17)14(8-21)9-23-29/h4-7,9-11,26H,1-3H3,(H,24,30)(H,25,27)
Definition date:	2012-09-07
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide

F8E

F8E
Name:	methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate
Formula:	C14 H11 Br N4 O2
SMILES:	O=C(OC)c1cc(ccc1Br)Nc2ncnc3c2ccn3
InChi:	InChI=1S/C14H11BrN4O2/c1-21-14(20)10-6-8(2-3-11(10)15)19-13-9-4-5-16-12(9)17-7-18-13/h2-7H,1H3,(H2,16,17,18,19)
Definition date:	2013-06-18
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate

1EB

1EB
Name:	N-(4-nitrophenyl)cyclopropanecarboxamide
Formula:	C10 H10 N2 O3
SMILES:	O=C(Nc1ccc([N+]([O-])=O)cc1)C2CC2
InChi:	InChI=1S/C10H10N2O3/c13-10(7-1-2-7)11-8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H2,(H,11,13)
Definition date:	2013-08-13
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	N-(4-nitrophenyl)cyclopropanecarboxamide

20M

20M
Name:	N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide
Formula:	C22 H28 N6 O4 S2
SMILES:	O=S(=O)(N2CCC(N1CCCC1)CC2)c3ccc(cc3)CNC5=Nc4c(cncc4)S(=O)(=O)N5
InChi:	InChI=1S/C22H28N6O4S2/c29-33(30)21-16-23-10-7-20(21)25-22(26-33)24-15-17-3-5-19(6-4-17)34(31,32)28-13-8-18(9-14-28)27-11-1-2-12-27/h3-7,10,16,18H,1-2,8-9,11-15H2,(H2,24,25,26)
Definition date:	2013-08-13
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide

20N

20N
Name:	N-[4-(acetylamino)phenyl]cyclopropanecarboxamide
Formula:	C12 H14 N2 O2
SMILES:	O=C(Nc1ccc(NC(=O)C)cc1)C2CC2
InChi:	InChI=1S/C12H14N2O2/c1-8(15)13-10-4-6-11(7-5-10)14-12(16)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,13,15)(H,14,16)
Definition date:	2013-08-13
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	N-[4-(acetylamino)phenyl]cyclopropanecarboxamide

20O

20O
Name:	(1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide
Formula:	C21 H18 N2 O3 S
SMILES:	O=S(=O)(c1ccccc1)c2ccc(cc2)NC(=O)C4CC4c3cccnc3
InChi:	InChI=1S/C21H18N2O3S/c24-21(20-13-19(20)15-5-4-12-22-14-15)23-16-8-10-18(11-9-16)27(25,26)17-6-2-1-3-7-17/h1-12,14,19-20H,13H2,(H,23,24)/t19-,20+/m1/s1
Definition date:	2013-08-13
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	(1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide

20P

20P
Name:	(1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide
Formula:	C15 H14 N2 O
SMILES:	O=C(Nc1ccncc1)C3CC3c2ccccc2
InChi:	InChI=1S/C15H14N2O/c18-15(17-12-6-8-16-9-7-12)14-10-13(14)11-4-2-1-3-5-11/h1-9,13-14H,10H2,(H,16,17,18)/t13-,14+/m1/s1
Definition date:	2013-08-13
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	(1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide

20R

20R
Name:	N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
Formula:	C20 H16 N4 O3 S
SMILES:	O=S(=O)(c1ccccc1)c2ccc(cc2)CNC(=O)c3cc4cnnc4nc3
InChi:	InChI=1S/C20H16N4O3S/c25-20(16-10-15-13-23-24-19(15)21-12-16)22-11-14-6-8-18(9-7-14)28(26,27)17-4-2-1-3-5-17/h1-10,12-13H,11H2,(H,22,25)(H,21,23,24)
Definition date:	2013-08-13
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

20T

20T
Name:	1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
Formula:	C26 H24 F3 N4 O10 P S
SMILES:	FC(F)(F)c1cc(ccc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)C5OC(C(O)C5O)COP(=O)(O)O
InChi:	InChI=1S/C26H24F3N4O10PS/c27-26(28,29)17-2-1-3-19(9-17)45(40,41)18-6-4-14(5-7-18)10-31-24(36)16-8-15-12-32-33(23(15)30-11-16)25-22(35)21(34)20(43-25)13-42-44(37,38)39/h1-9,11-12,20-22,25,34-35H,10,13H2,(H,31,36)(H2,37,38,39)/t20-,21-,22-,25-/m1/s1
Definition date:	2013-08-13
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

24Y

24Y
Name:	3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one
Formula:	C19 H14 Cl N5 O
SMILES:	ClC4=CC(c2nc(nn2c1ncccc1C)c3ccccc3)=CNC4=O
InChi:	InChI=1S/C19H14ClN5O/c1-12-6-5-9-21-17(12)25-18(14-10-15(20)19(26)22-11-14)23-16(24-25)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,26)
Definition date:	2013-08-29
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one

25K

25K
Name:	N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:	C15 H17 N5
SMILES:	n2c(cc(N(Cc1ccc(cc1)C)C)n3ncnc23)C
InChi:	InChI=1S/C15H17N5/c1-11-4-6-13(7-5-11)9-19(3)14-8-12(2)18-15-16-10-17-20(14)15/h4-8,10H,9H2,1-3H3
Definition date:	2013-08-28
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

25O

25O
Name:	5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Formula:	C12 H11 N5
SMILES:	n2c(cc(c1ccccc1)n3nc(nc23)N)C
InChi:	InChI=1S/C12H11N5/c1-8-7-10(9-5-3-2-4-6-9)17-12(14-8)15-11(13)16-17/h2-7H,1H3,(H2,13,16)
Definition date:	2013-08-28
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

25V

25V
Name:	N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide
Formula:	C18 H16 N2 O2
SMILES:	O=C(Nc3cccc(c2c1c(cccc1)[n+]([O-])c(c2)C)c3)C
InChi:	InChI=1S/C18H16N2O2/c1-12-10-17(16-8-3-4-9-18(16)20(12)22)14-6-5-7-15(11-14)19-13(2)21/h3-11H,1-2H3,(H,19,21)
Definition date:	2013-08-29
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide

27Y

27Y
Name:	5-bromo-3-hydroxypyridin-2(1H)-one
Formula:	C5 H4 Br N O2
SMILES:	BrC1=CNC(=O)C(O)=C1
InChi:	InChI=1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
Definition date:	2013-09-06
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	5-bromo-3-hydroxypyridin-2(1H)-one

28A

28A
Name:	3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one
Formula:	C12 H11 N O3
SMILES:	O=C2N=C(c1cccc(OC)c1)CC=C2O
InChi:	InChI=1S/C12H11NO3/c1-16-9-4-2-3-8(7-9)10-5-6-11(14)12(15)13-10/h2-4,6-7,14H,5H2,1H3
Definition date:	2013-09-06
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one

28B

28B
Name:	3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile
Formula:	C12 H8 N2 O2
SMILES:	O=C2C(O)=CC(c1cccc(C#N)c1)=CN2
InChi:	InChI=1S/C12H8N2O2/c13-6-8-2-1-3-9(4-8)10-5-11(15)12(16)14-7-10/h1-5,7,15H,(H,14,16)
Definition date:	2013-09-06
Last modified:	2013-09-20
Release date:	2013-09-25
Identifier:	3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile

U98

U98
Name:	2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide
Formula:	C12 H10 F3 N3 O2 S
SMILES:	FC(F)(F)c1cc(ccc1)Nc2ncccc2S(=O)(=O)N
InChi:	InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-3-1-4-9(7-8)18-11-10(21(16,19)20)5-2-6-17-11/h1-7H,(H,17,18)(H2,16,19,20)
Definition date:	2013-05-20
Last modified:	2013-09-13
Release date:	2013-09-18
Identifier:	2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-sulfonamide

<1166 1167 1168 1169 1170 1171 117211731174 1175 1176 1177 1178 1179 1180 1181 >

224931

數據於2024-09-11公開中

PDB statistics

PDBj update info

Contact PDBj

numon