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: 2024 results BIRD

A8O

A8O
Name:	4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile
Formula:	C20 H23 N3 O2
SMILES:	C(N1CCC(CC1)O)C(c2cc(C)n(c2C)c3ccc(C#N)cc3)=O
InChi:	InChI=1S/C20H23N3O2/c1-14-11-19(20(25)13-22-9-7-18(24)8-10-22)15(2)23(14)17-5-3-16(12-21)4-6-17/h3-6,11,18,24H,7-10,13H2,1-2H3
Definition date:	2018-10-19
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile

FKE

FKE
Name:	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide
Formula:	C18 H20 N2 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3
InChi:	InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23)
Definition date:	2018-07-17
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide

FKK

FKK
Name:	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H20 F N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)Cc3ccc(F)cc3
InChi:	InChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25)
Definition date:	2018-07-17
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide

FKQ

FKQ
Name:	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide
Formula:	C18 H20 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(O)(CC2)c3ccccc3
InChi:	InChI=1S/C18H20N2O4S/c19-25(23,24)16-8-6-14(7-9-16)17(21)20-12-10-18(22,11-13-20)15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H2,19,23,24)
Definition date:	2018-07-18
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide

HKB

HKB
Name:	~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide
Formula:	C22 H18 N2 O6 S
SMILES:	CN(C)c1ccc(cc1)[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O
InChi:	InChI=1S/C22H18N2O6S/c1-24(2)12-7-9-13(10-8-12)31(29,30)23-17-11-16-18(22(28)21(17)27)20(26)15-6-4-3-5-14(15)19(16)25/h3-11,23,27-28H,1-2H3
Definition date:	2017-08-15
Last modified:	2018-11-30
Release date:	2018-12-05
Identifier:	~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide

J6V

J6V
Name:	3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide
Formula:	C14 H13 F N4 O6 S
SMILES:	c1cc(F)c(cc1NC(Nc2c(c(cc(c2)S(N)(=O)=O)N(=O)=O)O)=O)C
InChi:	InChI=1S/C14H13FN4O6S/c1-7-4-8(2-3-10(7)15)17-14(21)18-11-5-9(26(16,24)25)6-12(13(11)20)19(22)23/h2-6,20H,1H3,(H2,16,24,25)(H2,17,18,21)
Definition date:	2018-08-16
Last modified:	2018-11-23
Release date:	2018-11-28
Identifier:	3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide

J3V

J3V
Name:	4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide
Formula:	C14 H11 F3 N4 O6 S
SMILES:	c1cc(C(F)(F)F)ccc1NC(Nc2c(c(cc(c2)S(=O)(=O)N)N(=O)=O)O)=O
InChi:	InChI=1S/C14H11F3N4O6S/c15-14(16,17)7-1-3-8(4-2-7)19-13(23)20-10-5-9(28(18,26)27)6-11(12(10)22)21(24)25/h1-6,22H,(H2,18,26,27)(H2,19,20,23)
Definition date:	2018-08-07
Last modified:	2018-11-23
Release date:	2018-11-28
Identifier:	4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide

L7M

L7M
Name:	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide
Formula:	C35 H37 Cl N4 O5 S
SMILES:	c2(c1c(ccc(OC)c1)n(c2C)C(c3ccc(cc3)Cl)=O)CC(NCCCCNS(c4cccc5c4cccc5N(C)C)(=O)=O)=O
InChi:	InChI=1S/C35H37ClN4O5S/c1-23-29(30-21-26(45-4)17-18-32(30)40(23)35(42)24-13-15-25(36)16-14-24)22-34(41)37-19-5-6-20-38-46(43,44)33-12-8-9-27-28(33)10-7-11-31(27)39(2)3/h7-18,21,38H,5-6,19-20,22H2,1-4H3,(H,37,41)
Definition date:	2017-11-10
Last modified:	2018-11-09
Release date:	2018-11-14
Identifier:	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide

DXS

DXS
Name:	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide
Formula:	C33 H33 Cl N4 O5 S
SMILES:	c2(c1c(ccc(OC)c1)n(c2C)C(c3ccc(cc3)Cl)=O)CC(NCCNS(c5c4cccc(c4ccc5)N(C)C)(=O)=O)=O
InChi:	InChI=1S/C33H33ClN4O5S/c1-21-27(28-19-24(43-4)15-16-30(28)38(21)33(40)22-11-13-23(34)14-12-22)20-32(39)35-17-18-36-44(41,42)31-10-6-7-25-26(31)8-5-9-29(25)37(2)3/h5-16,19,36H,17-18,20H2,1-4H3,(H,35,39)
Definition date:	2017-11-10
Last modified:	2018-11-09
Release date:	2018-11-14
Identifier:	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide

975

975
Name:	4-(2-hydroxyethyl)benzene-1,2-diol
Formula:	C8 H10 O3
SMILES:	OCCc1ccc(O)c(O)c1
InChi:	InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
Definition date:	2017-04-26
Last modified:	2018-11-02
Release date:	2018-11-07
Identifier:	4-(2-hydroxyethyl)benzene-1,2-diol

FGY

FGY
Name:	N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide
Formula:	C27 H35 N5 O6
SMILES:	C(C(NC(C(CC(=O)NCC(C)(C)C)NC(c1ccc(C(=O)NO)cc1)=O)=O)C)(NCc2ccccc2)=O
InChi:	InChI=1S/C27H35N5O6/c1-17(23(34)28-15-18-8-6-5-7-9-18)30-26(37)21(14-22(33)29-16-27(2,3)4)31-24(35)19-10-12-20(13-11-19)25(36)32-38/h5-13,17,21,38H,14-16H2,1-4H3,(H,28,34)(H,29,33)(H,30,37)(H,31,35)(H,32,36)/t17-,21-/m0/s1
Definition date:	2018-03-30
Last modified:	2018-11-02
Release date:	2018-11-07
Identifier:	N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide

DU7

DU7
Name:	4-chloro-6-methylpyrimidin-2-amine
Formula:	C5 H6 Cl N3
SMILES:	c1(N)nc(Cl)cc(n1)C
InChi:	InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)
Definition date:	2017-11-06
Last modified:	2018-11-02
Release date:	2018-11-07
Identifier:	4-chloro-6-methylpyrimidin-2-amine

BQB

BQB
Name:	5-(4-nitrophenylazo)-3-iodosalicylic acid
Formula:	C13 H8 I N3 O5
SMILES:	OC(=O)c1cc(cc(I)c1O)N=Nc2ccc(cc2)[N+]([O-])=O
InChi:	InChI=1S/C13H8IN3O5/c14-11-6-8(5-10(12(11)18)13(19)20)16-15-7-1-3-9(4-2-7)17(21)22/h1-6,18H,(H,19,20)/b16-15+
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-iodanyl-5-[(~{E})-(4-nitrophenyl)diazenyl]-2-oxidanyl-benzoic acid

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

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

JHV

JHV
Name:	4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine
Formula:	C11 H10 Cl N3
SMILES:	c1(ccncc1)Nc2ccc(cc2N)Cl
InChi:	InChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine

JMD

JMD
Name:	4-(2-hydroxyethyl)benzonitrile
Formula:	C9 H9 N O
SMILES:	C(c1ccc(CCO)cc1)#N
InChi:	InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-(2-hydroxyethyl)benzonitrile

JNA

JNA
Name:	N-[(thiophen-2-yl)methyl]benzenesulfonamide
Formula:	C11 H11 N O2 S2
SMILES:	c2cc(S(=O)(=O)NCc1sccc1)ccc2
InChi:	InChI=1S/C11H11NO2S2/c13-16(14,11-6-2-1-3-7-11)12-9-10-5-4-8-15-10/h1-8,12H,9H2
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-[(thiophen-2-yl)methyl]benzenesulfonamide

JOY

JOY
Name:	4-[(1H-pyrazol-1-yl)methyl]benzonitrile
Formula:	C11 H9 N3
SMILES:	c1cn(nc1)Cc2ccc(C#N)cc2
InChi:	InChI=1S/C11H9N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,9H2
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-[(1H-pyrazol-1-yl)methyl]benzonitrile

N19

N19
Name:	4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H21 N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[CH](C2)Cc3ccccc3
InChi:	InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
Definition date:	2017-11-07
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide

F5E

F5E
Name:	~{N}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide
Formula:	C28 H40 N4 O2 S
SMILES:	CC(C)Cc1ccc2nn(C)cc2c1N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3
InChi:	InChI=1S/C28H40N4O2S/c1-21(2)19-24-11-14-27-26(20-32(4)29-27)28(24)30-35(33,34)25-12-9-22(10-13-25)7-5-6-8-23-15-17-31(3)18-16-23/h9-14,20-21,23,30H,5-8,15-19H2,1-4H3
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide

GRY

GRY
Name:	~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
Formula:	C12 H14 N4
SMILES:	Cc1cc(C)nc(Nc2ccc(N)cc2)n1
InChi:	InChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

F6W

F6W
Name:	4-(2-phenylethylsulfanyl)benzenesulfonamide
Formula:	C14 H15 N O2 S2
SMILES:	N[S](=O)(=O)c1ccc(SCCc2ccccc2)cc1
InChi:	InChI=1S/C14H15NO2S2/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
Definition date:	2018-06-05
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	4-(2-phenylethylsulfanyl)benzenesulfonamide

F5Q

F5Q
Name:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide
Formula:	C29 H38 N4 O2 S
SMILES:	CN1CCC(CCCCc2ccc(cc2)[S](=O)(=O)Nc3c(ccc4ncccc34)N5CCCC5)CC1
InChi:	InChI=1S/C29H38N4O2S/c1-32-21-16-24(17-22-32)8-3-2-7-23-10-12-25(13-11-23)36(34,35)31-29-26-9-6-18-30-27(26)14-15-28(29)33-19-4-5-20-33/h6,9-15,18,24,31H,2-5,7-8,16-17,19-22H2,1H3
Definition date:	2018-06-01
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide

F5Z

F5Z
Name:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide
Formula:	C29 H39 N3 O2 S
SMILES:	CC(C)Cc1ccc2ncccc2c1N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3
InChi:	InChI=1S/C29H39N3O2S/c1-22(2)21-25-12-15-28-27(9-6-18-30-28)29(25)31-35(33,34)26-13-10-23(11-14-26)7-4-5-8-24-16-19-32(3)20-17-24/h6,9-15,18,22,24,31H,4-5,7-8,16-17,19-21H2,1-3H3
Definition date:	2018-06-01
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide

<33 34 35 36 37 38 394041 42 43 44 45 46 47 48 >

224931

数据于2024-09-11公开中

PDB statistics

PDBj update info

Contact PDBj

numon