Chemie Search results for query - Protein Data Bank Japan

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: 2015 results BIRD

SP3

SP3
Name:	N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE
Formula:	C21 H12 F7 N3 O2 S2
SMILES:	FC(F)(F)c1cc(cc(c1)C(F)(F)F)S(=O)(=O)Nc3n(nc(c2sccc2)c3)c4ccc(F)cc4
InChi:	InChI=1S/C21H12F7N3O2S2/c22-14-3-5-15(6-4-14)31-19(11-17(29-31)18-2-1-7-34-18)30-35(32,33)16-9-12(20(23,24)25)8-13(10-16)21(26,27)28/h1-11,30H
Definition date:	2006-02-15
Last modified:	2011-06-04
Identifier:	N-[1-(4-fluorophenyl)-3-thiophen-2-yl-1H-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide

YDP

YDP
Name:	(3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine
Formula:	C28 H37 N5 O6 S2
SMILES:	O=S(=O)(N(C2C(N(CC=C(/C)C)S(=O)(=O)c1ccc(C(=O)N)cc1)CNC2)CC=C(/C)C)c3ccc(C(=O)N)cc3
InChi:	InChI=1S/C28H37N5O6S2/c1-19(2)13-15-32(40(36,37)23-9-5-21(6-10-23)27(29)34)25-17-31-18-26(25)33(16-14-20(3)4)41(38,39)24-11-7-22(8-12-24)28(30)35/h5-14,25-26,31H,15-18H2,1-4H3,(H2,29,34)(H2,30,35)/t25-,26-/m0/s1
Definition date:	2008-01-22
Last modified:	2011-06-04
Identifier:	4,4'-{(3S,4S)-pyrrolidine-3,4-diylbis[(3-methylbut-2-en-1-yl)sulfamoyl]}dibenzamide

P27

P27
Name:	{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
Formula:	C29 H23 F6 N3 O6 P2
SMILES:	FC(F)(c1ccc(cc1)CC(c2ccc(F)c(F)c2)(n4nnc3ccccc34)Cc5ccc(cc5)C(F)(F)P(=O)(O)O)P(=O)(O)O
InChi:	InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
Definition date:	2003-08-19
Last modified:	2011-06-04
Identifier:	{[2-(1H-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid)

ZIG

ZIG
Name:	2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
Formula:	C25 H17 F2 N5 O3 S
SMILES:	COc1ncc(cc1N[S](=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3
InChi:	InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
Definition date:	2009-12-10
Last modified:	2011-06-04
Identifier:	2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide

UQ6

UQ6
Name:	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL
Formula:	C39 H60 O4
SMILES:	O(c1c(O)c(c(c(O)c1OC)CC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C)C
InChi:	InChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22-,32-24+,33-26+
Definition date:	2000-06-20
Last modified:	2011-06-04
Identifier:	2-[(2E,6E,10Z,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5,6-dimethoxy-3-methylbenzene-1,4-diol

ZZE

ZZE
Name:	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile
Formula:	C17 H18 N4 O2
SMILES:	N#Cc2cc(Oc1c(nn(c1CC)CCO)CC)cc(C#N)c2
InChi:	InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3
Definition date:	2009-07-27
Last modified:	2011-06-04
Identifier:	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile

ZZF

ZZF
Name:	4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY]PYRIDIN-2-YL}AMINO)BENZENESULFONAMIDE
Formula:	C18 H18 N4 O3 S
SMILES:	O=S(=O)(N)c1ccc(cc1)Nc3nccc(Oc2ccc(nc2C)C)c3
InChi:	InChI=1S/C18H18N4O3S/c1-12-3-8-17(13(2)21-12)25-15-9-10-20-18(11-15)22-14-4-6-16(7-5-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)
Definition date:	2009-07-28
Last modified:	2011-06-04
Identifier:	4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide

O8H

O8H
Name:	4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide
Formula:	C22 H22 I N7 O4 S2
SMILES:	Ic1ccc(cc1)S(=O)(=O)NCc2nnn(c2)CC(=O)N5CCC(c3onc(n3)c4sccc4)CC5
InChi:	InChI=1S/C22H22IN7O4S2/c23-16-3-5-18(6-4-16)36(32,33)24-12-17-13-30(28-26-17)14-20(31)29-9-7-15(8-10-29)22-25-21(27-34-22)19-2-1-11-35-19/h1-6,11,13,15,24H,7-10,12,14H2
Definition date:	2010-08-05
Last modified:	2011-06-04
Identifier:	4-iodo-N-{[1-(2-oxo-2-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethyl)-1H-1,2,3-triazol-4-yl]methyl}benzenesulfonamide

XFN

XFN
Name:	6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)
Formula:	C22 H27 N5
SMILES:	n1c(N)cc(cc1CCc2cc(cc(N)c2)CCc3nc(N)cc(c3)C)C
InChi:	InChI=1S/C22H27N5/c1-14-7-19(26-21(24)9-14)5-3-16-11-17(13-18(23)12-16)4-6-20-8-15(2)10-22(25)27-20/h7-13H,3-6,23H2,1-2H3,(H2,24,26)(H2,25,27)
Definition date:	2010-05-27
Last modified:	2011-06-04
Identifier:	6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)

X0V

X0V
Name:	4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
Formula:	C7 H7 F3 N2
SMILES:	FC(F)(F)c1cc(N)c(N)cc1
InChi:	InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
Definition date:	2009-12-17
Last modified:	2011-06-04
Identifier:	4-(trifluoromethyl)benzene-1,2-diamine

ZZP

ZZP
Name:	N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE
Formula:	C22 H19 F N4 O4 S
SMILES:	Fc1ccc(cc1)S(=O)(=O)Nc3nc4ccccc4nc3N=C2/C=C(OC)C=C(OC)C2
InChi:	InChI=1S/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-11,13H,12H2,1-2H3,(H,26,27)/b24-15+
Definition date:	2009-11-09
Last modified:	2011-06-04
Identifier:	N-(3-{[(1Z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide

W29

W29
Name:	4-(3-ethylthiophen-2-yl)benzene-1,2-diol
Formula:	C12 H12 O2 S
SMILES:	Oc1ccc(cc1O)c2sccc2CC
InChi:	InChI=1S/C12H12O2S/c1-2-8-5-6-15-12(8)9-3-4-10(13)11(14)7-9/h3-7,13-14H,2H2,1H3
Definition date:	2008-05-11
Last modified:	2011-06-04
Identifier:	4-(3-ethylthiophen-2-yl)benzene-1,2-diol

PHT

PHT
Name:	PHTHALIC ACID
Formula:	C8 H6 O4
SMILES:	O=C(O)c1ccccc1C(=O)O
InChi:	InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	benzene-1,2-dicarboxylic acid

PI9

PI9
Name:	(10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE
Formula:	C32 H48 N4 O6 S
SMILES:	O=S(=O)(c1ccc(N)cc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCCCOc2ccc(cc2)C3)C(C)C
InChi:	InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1
Definition date:	1999-10-07
Last modified:	2011-06-04
Identifier:	4-amino-N-{(2R)-2-hydroxy-2-[(10S,13S)-10-(1-methylethyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide

PXY

PXY
Name:	PARA-XYLENE
Formula:	C8 H10
SMILES:	c1cc(ccc1C)C
InChi:	InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1,4-dimethylbenzene

XIG

XIG
Name:	5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
Formula:	C34 H29 N O8
SMILES:	COc1ccc(cc1)c2ccc(CN([CH]3CCCc4ccccc34)C(=O)c5cc(C(O)=O)c(cc5C(O)=O)C(O)=O)cc2
InChi:	InChI=1S/C34H29NO8/c1-43-24-15-13-22(14-16-24)21-11-9-20(10-12-21)19-35(30-8-4-6-23-5-2-3-7-25(23)30)31(36)26-17-28(33(39)40)29(34(41)42)18-27(26)32(37)38/h2-3,5,7,9-18,30H,4,6,8,19H2,1H3,(H,37,38)(H,39,40)(H,41,42)/t30-/m0/s1
Definition date:	2009-12-01
Last modified:	2011-06-04
Identifier:	5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid

P4P

P4P
Name:	TETRAPHENYLPHOSPHONIUM
Formula:	C24 H20 P
SMILES:	c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	tetraphenylphosphonium

PY9

PY9
Name:	4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
Formula:	C18 H19 N O3
SMILES:	O=C(c1ccc(O)cc1O)N3CCCC3c2c(cccc2)C
InChi:	InChI=1S/C18H19NO3/c1-12-5-2-3-6-14(12)16-7-4-10-19(16)18(22)15-9-8-13(20)11-17(15)21/h2-3,5-6,8-9,11,16,20-21H,4,7,10H2,1H3/t16-/m1/s1
Definition date:	2008-09-26
Last modified:	2011-06-04
Identifier:	4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol

Y00

Y00
Name:	DOBUTAMINE
Formula:	C18 H23 N O3
SMILES:	C[CH](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
InChi:	InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m1/s1
Definition date:	2010-11-30
Last modified:	2011-06-04
Identifier:	4-[2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol

NVB

NVB
Name:	N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
Formula:	C24 H23 N3 O5 S
SMILES:	CN[S](=O)(=O)c1ccc(cc1)c2cccc3ncc(nc23)c4cc(OC)c(OC)c(OC)c4
InChi:	InChI=1S/C24H23N3O5S/c1-25-33(28,29)17-10-8-15(9-11-17)18-6-5-7-19-23(18)27-20(14-26-19)16-12-21(30-2)24(32-4)22(13-16)31-3/h5-14,25H,1-4H3
Definition date:	2010-02-17
Last modified:	2011-06-04
Identifier:	N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide

TMA

TMA
Name:	TETRAMETHYLAMMONIUM ION
Formula:	C4 H12 N
SMILES:	C[N+](C)(C)C
InChi:	InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
Definition date:	2000-03-14
Last modified:	2011-06-04
Identifier:	N,N,N-trimethylmethanaminium

U12

U12
Name:	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE
Formula:	C10 H7 F3 N6
SMILES:	FC(F)(F)c2cccc(/N=N/C=1C(=[N@H])N=NC=1N)c2
InChi:	InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8?,17-16+
Definition date:	2006-03-29
Last modified:	2011-06-04
Identifier:	(3Z)-3-imino-4-{(E)-[3-(trifluoromethyl)phenyl]diazenyl}-3H-pyrazol-5-amine

TMM

TMM
Name:	1,3,5-BENZENETRICARBOXYLIC ACID
Formula:	C9 H6 O6
SMILES:	O=C(O)c1cc(cc(C(=O)O)c1)C(=O)O
InChi:	InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	benzene-1,3,5-tricarboxylic acid

U13

U13
Name:	4-(4-FLUORO-PHENYLAZO)-5-IMINO-5H-PYRAZOL-3-YLAMINE
Formula:	C9 H7 F N6
SMILES:	Fc2ccc(/N=N/C=1C(=[N@H])N=NC=1N)cc2
InChi:	InChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11H,12H2/b11-8+,14-13+
Definition date:	2006-03-29
Last modified:	2011-06-04
Identifier:	(3E)-4-[(E)-(4-fluorophenyl)diazenyl]-3-imino-3H-pyrazol-5-amine

U14

U14
Name:	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4-YLAZO)-BENZOIC ACID
Formula:	C10 H8 N6 O2
SMILES:	O=C(O)c2cc(/N=N/C=1C(=[N@H])N=NC=1N)ccc2
InChi:	InChI=1S/C10H8N6O2/c11-8-7(9(12)16-15-8)14-13-6-3-1-2-5(4-6)10(17)18/h1-4,11H,12H2,(H,17,18)/b11-8-,14-13+
Definition date:	2006-04-03
Last modified:	2011-06-04
Identifier:	3-{(E)-[(3Z)-5-amino-3-imino-3H-pyrazol-4-yl]diazenyl}benzoic acid

<60 61 62 63 64 65 666768 69 70 71 72 73 74 75 >

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon