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: 39984 results BIRD

BS8

BS8
Name:	7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine
Formula:	C11 H8 F N5
SMILES:	Nc1[nH]c2c(ccnc2n1)c3ccncc3F
InChi:	InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17)
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine

GQE

GQE
Name:	3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide
Formula:	C15 H14 N2 O4
SMILES:	COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO
InChi:	InChI=1S/C15H14N2O4/c1-21-13-8-7-11(15(19)17-20)9-12(13)16-14(18)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,16,18)(H,17,19)
Definition date:	2018-10-03
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide

GQN

GQN
Name:	4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
Formula:	C21 H18 N2 O4
SMILES:	COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO
InChi:	InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)
Definition date:	2018-10-04
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide

GQW

GQW
Name:	~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
Formula:	C16 H11 Cl N2 O3 S
SMILES:	ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1
InChi:	InChI=1S/C16H11ClN2O3S/c17-12-5-4-10(15(20)19-22)8-13(12)18-16(21)11-3-1-2-9-6-7-23-14(9)11/h1-8,22H,(H,18,21)(H,19,20)
Definition date:	2018-10-04
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide

GQZ

GQZ
Name:	~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide
Formula:	C14 H12 N2 O3
SMILES:	ONC(=O)c1cccc(c1)C(=O)Nc2ccccc2
InChi:	InChI=1S/C14H12N2O3/c17-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(18)16-19/h1-9,19H,(H,15,17)(H,16,18)
Definition date:	2018-10-04
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide

GRK

GRK
Name:	4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
Formula:	C16 H16 N2 O4
SMILES:	COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO
InChi:	InChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20)
Definition date:	2018-10-05
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide

GRZ

GRZ
Name:	1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
Formula:	C15 H10 Cl F N4 O3
SMILES:	ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3
InChi:	InChI=1S/C15H10ClFN4O3/c16-9-1-6-14(24-11-4-2-10(17)3-5-11)13(7-9)21-8-12(18-20-21)15(22)19-23/h1-8,23H,(H,19,22)
Definition date:	2018-10-08
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide

GT2

GT2
Name:	4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide
Formula:	C14 H9 Cl3 N2 O3
SMILES:	ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1
InChi:	InChI=1S/C14H9Cl3N2O3/c15-8-2-3-9(11(17)6-8)14(21)18-12-5-7(13(20)19-22)1-4-10(12)16/h1-6,22H,(H,18,21)(H,19,20)
Definition date:	2018-10-08
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide

9A0

9A0
Name:	2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
Formula:	C26 H28 N2 O4 S
SMILES:	C(C(=O)Nc2ccc(C(C(=O)Nc1ccccc1)(C)C)cc2)c3ccc(cc3)S(=O)(CC)=O
InChi:	InChI=1S/C26H28N2O4S/c1-4-33(31,32)23-16-10-19(11-17-23)18-24(29)27-22-14-12-20(13-15-22)26(2,3)25(30)28-21-8-6-5-7-9-21/h5-17H,4,18H2,1-3H3,(H,27,29)(H,28,30)
Definition date:	2018-02-08
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide

JXV

JXV
Name:	(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol
Formula:	C20 H19 N3 O3
SMILES:	c1(ccc2c(c1)OCCO2)c3cc(ncn3)NCC(O)c4ccccc4
InChi:	InChI=1S/C20H19N3O3/c24-17(14-4-2-1-3-5-14)12-21-20-11-16(22-13-23-20)15-6-7-18-19(10-15)26-9-8-25-18/h1-7,10-11,13,17,24H,8-9,12H2,(H,21,22,23)/t17-/m0/s1
Definition date:	2018-10-15
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol

E5H

E5H
Name:	2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide
Formula:	C22 H28 N2 O2
SMILES:	O=C(COc1ccc(cc1)c2ccccc2)NCCCN3CCCCC3
InChi:	InChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25)
Definition date:	2018-02-20
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide

E5K

E5K
Name:	1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
Formula:	C26 H35 N3 O3
SMILES:	CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(OC)cc4
InChi:	InChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3
Definition date:	2018-02-20
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone

FO7

FO7
Name:	{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
Formula:	C14 H9 Br Cl F3 O4 S
SMILES:	Brc1c(CO)c(ccc1Oc2cc(Cl)cc(c2)F)S(=O)(=O)C(F)F
InChi:	InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2
Definition date:	2018-04-11
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol

FOJ

FOJ
Name:	3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile
Formula:	C16 H8 F5 N O4 S
SMILES:	N#Cc1cc(cc(c1)F)Oc3ccc2S(=O)(=O)C(F)(F)C(c2c3C(F)F)O
InChi:	InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1
Definition date:	2018-04-11
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile

FOV

FOV
Name:	N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline
Formula:	C13 H7 Cl F4 N2 O4 S
SMILES:	O=N(c1c(ccc(c1)S(C(F)(F)F)(=O)=O)Nc2cc(Cl)cc(c2)F)=O
InChi:	InChI=1S/C13H7ClF4N2O4S/c14-7-3-8(15)5-9(4-7)19-11-2-1-10(6-12(11)20(21)22)25(23,24)13(16,17)18/h1-6,19H
Definition date:	2018-04-11
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline

DJY

DJY
Name:	3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid
Formula:	C28 H27 N5 O5
SMILES:	COc1cc(c(cc1[C@H]=C)C(=O)Nc2ccc(C(=N)N)cc2)c4ccc(C(=O)NCC3CC3)nc4C(O)=O
InChi:	InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)
Definition date:	2017-10-30
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid

DN7

DN7
Name:	4-[(pyridin-2-yl)oxy]benzoic acid
Formula:	C12 H9 N O3
SMILES:	c1cc(ccc1C(O)=O)Oc2ccccn2
InChi:	InChI=1S/C12H9NO3/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15)
Definition date:	2017-10-31
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	4-[(pyridin-2-yl)oxy]benzoic acid

J7G

J7G
Name:	3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid
Formula:	C20 H13 Cl N4 O3
SMILES:	C(=O)(Nc2cc(C#Cc1cccc(c1)C(O)=O)ncc2)Nc3cc(Cl)ncc3
InChi:	InChI=1S/C20H13ClN4O3/c21-18-12-17(7-9-23-18)25-20(28)24-16-6-8-22-15(11-16)5-4-13-2-1-3-14(10-13)19(26)27/h1-3,6-12H,(H,26,27)(H2,22,23,24,25,28)
Definition date:	2018-08-20
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid

J7J

J7J
Name:	N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea
Formula:	C18 H13 Br Cl N5 O2 S
SMILES:	c1c(ncc(c1NC(=O)Nc2c(c(ns2)C#Cc3cc(CO)ccc3)Br)N)Cl
InChi:	InChI=1S/C18H13BrClN5O2S/c19-16-13(5-4-10-2-1-3-11(6-10)9-26)25-28-17(16)24-18(27)23-14-7-15(20)22-8-12(14)21/h1-3,6-8,26H,9,21H2,(H2,22,23,24,27)
Definition date:	2018-08-20
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea

F2J

F2J
Name:	N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide
Formula:	C18 H20 N4 S
SMILES:	c4(/C(Nc1cc2c(cc1)n(cc2)C3CCNCC3)=N)cccs4
InChi:	InChI=1S/C18H20N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2,(H2,19,21)
Definition date:	2018-02-26
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide

7R2

7R2
Name:	N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide
Formula:	C19 H26 N4 S
SMILES:	c1(sccc1)/C(Nc3cc2CCCN(c2cc3)CCN(C)CC)=N
InChi:	InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
Definition date:	2018-02-26
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide

R70

R70
Name:	3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
Formula:	C24 H18 N2 O4
SMILES:	COc1ccccc1C2=C(Nc3ccc(cc3)C(=O)c4ccccc4)C(=O)NC2=O
InChi:	InChI=1S/C24H18N2O4/c1-30-19-10-6-5-9-18(19)20-21(24(29)26-23(20)28)25-17-13-11-16(12-14-17)22(27)15-7-3-2-4-8-15/h2-14H,1H3,(H2,25,26,28,29)
Definition date:	2018-10-17
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione

BGH

BGH
Name:	[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C13 H20 N5 O9 P
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2CN(C(C)=O)C3=C2N=C(N)NC3=O
InChi:	InChI=1S/C13H20N5O9P/c1-5(19)17-4-18(10-7(17)11(21)16-13(14)15-10)12-9(25-2)8(20)6(27-12)3-26-28(22,23)24/h6,8-9,12,20H,3-4H2,1-2H3,(H2,22,23,24)(H3,14,15,16,21)/t6-,8-,9-,12-/m1/s1
Definition date:	2017-10-04
Last modified:	2018-10-20
Release date:	2018-01-24
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

FYW

FYW
Name:	6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide
Formula:	C21 H18 F3 N5 O3
SMILES:	O[CH]1CCN(C1)c2ncc(cc2c3cncnc3)C(=O)Nc4ccc(OC(F)(F)F)cc4
InChi:	InChI=1S/C21H18F3N5O3/c22-21(23,24)32-17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29/h1-4,7-10,12,16,30H,5-6,11H2,(H,28,31)/t16-/m1/s1
Definition date:	2018-08-17
Last modified:	2018-10-19
Release date:	2018-10-24
Identifier:	6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide

G8H

G8H
Name:	2-naphthalen-2-yl-~{N}-pyridin-2-yl-ethanamide
Formula:	C17 H14 N2 O
SMILES:	O=C(Cc1ccc2ccccc2c1)Nc3ccccn3
InChi:	InChI=1S/C17H14N2O/c20-17(19-16-7-3-4-10-18-16)12-13-8-9-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,18,19,20)
Definition date:	2018-09-06
Last modified:	2018-10-19
Release date:	2018-10-24
Identifier:	2-naphthalen-2-yl-~{N}-pyridin-2-yl-ethanamide

<857 858 859 860 861 862 863864865 866 867 868 869 870 871 872 >

224004

PDB entries from 2024-08-21

PDB statistics

PDBj update info

Contact PDBj

numon