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: 39836 results BIRD

LUY

LUY
Name:	~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
Formula:	C15 H15 N3
SMILES:	C(Cc1ccccc1)Nc2[nH]c3ccccc3n2
InChi:	InChI=1S/C15H15N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)
Definition date:	2019-03-15
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine

EW2

EW2
Name:	2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole
Formula:	C21 H16 Cl N5
SMILES:	Clc1[nH]c2ccccc2c1c3nn(cc3Cn4ccnc4)c5ccccc5
InChi:	InChI=1S/C21H16ClN5/c22-21-19(17-8-4-5-9-18(17)24-21)20-15(12-26-11-10-23-14-26)13-27(25-20)16-6-2-1-3-7-16/h1-11,13-14,24H,12H2
Definition date:	2018-04-27
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole

EW5

EW5
Name:	1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
Formula:	C21 H17 N5 O
SMILES:	O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4
InChi:	InChI=1S/C21H17N5O/c27-21(24-14-16-6-10-22-11-7-16)19-15-26(18-4-2-1-3-5-18)25-20(19)17-8-12-23-13-9-17/h1-13,15H,14H2,(H,24,27)
Definition date:	2018-04-27
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

NQ7

NQ7
Name:	(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
Formula:	C13 H13 N3 O2
SMILES:	c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23
InChi:	InChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1
Definition date:	2019-05-23
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one

A7O

A7O
Name:	(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone
Formula:	C30 H34 N2 O6
SMILES:	c1(ccnc(c1)C(N2CC(C2)c3cc(OC)c(cc3)OCc5ccc(C4CC4)cc5)=O)COCC(O)CO
InChi:	InChI=1S/C30H34N2O6/c1-36-29-13-24(8-9-28(29)38-18-20-2-4-22(5-3-20)23-6-7-23)25-14-32(15-25)30(35)27-12-21(10-11-31-27)17-37-19-26(34)16-33/h2-5,8-13,23,25-26,33-34H,6-7,14-19H2,1H3/t26-/m0/s1
Definition date:	2018-10-11
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone

NT7

NT7
Name:	N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
Formula:	C14 H20 N2 O2
SMILES:	N(C(=O)CN1CCOCC1)c2cccc(c2C)C
InChi:	InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)15-14(17)10-16-6-8-18-9-7-16/h3-5H,6-10H2,1-2H3,(H,15,17)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide

NTG

NTG
Name:	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
Formula:	C11 H13 N3 O
SMILES:	N#Cc2ncc(N1CCCOCC1)cc2
InChi:	InChI=1S/C11H13N3O/c12-8-10-2-3-11(9-13-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-7H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile

NTV

NTV
Name:	(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
Formula:	C12 H14 Cl N O2
SMILES:	N(C(=O)C1CCCO1)c2cccc(c2C)Cl
InChi:	InChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide

NU4

NU4
Name:	2-methyl-N-(pyridin-4-yl)furan-3-carboxamide
Formula:	C11 H10 N2 O2
SMILES:	N(c1ccncc1)C(c2ccoc2C)=O
InChi:	InChI=1S/C11H10N2O2/c1-8-10(4-7-15-8)11(14)13-9-2-5-12-6-3-9/h2-7H,1H3,(H,12,13,14)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-methyl-N-(pyridin-4-yl)furan-3-carboxamide

NUJ

NUJ
Name:	trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
Formula:	C11 H17 N3 O
SMILES:	N(c1nc(C)nc(c1)C)(C)C2CC(C2)O
InChi:	InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10-
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol

NUM

NUM
Name:	N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
Formula:	C14 H14 N2 O2
SMILES:	N(C(c1ccccn1)=O)CCc2ccc(cc2)O
InChi:	InChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide

NV7

NV7
Name:	1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
Formula:	C10 H16 N2 O3 S
SMILES:	N2(CCN(Cc1occc1)CC2)S(C)(=O)=O
InChi:	InChI=1S/C10H16N2O3S/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10/h2-3,8H,4-7,9H2,1H3
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine

NVD

NVD
Name:	N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
Formula:	C11 H15 N5
SMILES:	N(C)(C)c2ccc(CNn1cnnc1)cc2
InChi:	InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine

NVJ

NVJ
Name:	ethyl benzylcarbamate
Formula:	C10 H13 N O2
SMILES:	N(Cc1ccccc1)C(=O)OCC
InChi:	InChI=1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	ethyl benzylcarbamate

NVM

NVM
Name:	[(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone
Formula:	C11 H14 N2 O S
SMILES:	N1(CCC(C)CC=C1)C(=O)c2cscn2
InChi:	InChI=1S/C11H14N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h2,5,7-9H,3-4,6H2,1H3/t9-/m1/s1
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	[(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone

NW4

NW4
Name:	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one
Formula:	C13 H23 N O2
SMILES:	N1(CCOCC1)C(=O)CCC2CCCCC2
InChi:	InChI=1S/C13H23NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one

NW7

NW7
Name:	3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
Formula:	C11 H13 N3 O3
SMILES:	n2oc(C)c(C(Nc1noc(c1)C)=O)c2CC
InChi:	InChI=1S/C11H13N3O3/c1-4-8-10(7(3)17-13-8)11(15)12-9-5-6(2)16-14-9/h5H,4H2,1-3H3,(H,12,14,15)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide

NZM

NZM
Name:	cefixime, bound form
Formula:	C16 H17 N5 O7 S2
SMILES:	OC(=O)CON=C(/C(=O)NC(C=O)C1SCC(=C(N1)C(O)=O)[C@H]=C)c2csc(N)n2
InChi:	InChI=1S/C16H17N5O7S2/c1-2-7-5-29-14(20-11(7)15(26)27)8(3-22)18-13(25)12(21-28-4-10(23)24)9-6-30-16(17)19-9/h2-3,6,8,14,20H,1,4-5H2,(H2,17,19)(H,18,25)(H,23,24)(H,26,27)/b21-12-/t8-,14-/m1/s1
Definition date:	2019-05-30
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2R)-2-[(1R)-1-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-2-oxoethyl]-5-ethenyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

NZV

NZV
Name:	ceftriaxone, bound form
Formula:	C18 H20 N8 O8 S3
SMILES:	O=C(/C(c1csc(N)n1)=NOC)NC(C(O)=O)C2SCC(=C(N2)C(O)=O)CSC=3N(NC(C(N=3)=O)=O)C
InChi:	InChI=1S/C18H20N8O8S3/c1-26-18(23-12(28)13(29)24-26)37-4-6-3-35-14(22-8(6)15(30)31)10(16(32)33)21-11(27)9(25-34-2)7-5-36-17(19)20-7/h5,10,14,22H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,24,29)(H,30,31)(H,32,33)/b25-9-/t10-,14+/m0/s1
Definition date:	2019-05-30
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

B9L

B9L
Name:	N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide
Formula:	C21 H25 N3 O2
SMILES:	N(C(C(=O)NC(Cc2c1c(cccc1)nc2)CO)Cc3ccccc3)C
InChi:	InChI=1S/C21H25N3O2/c1-22-20(11-15-7-3-2-4-8-15)21(26)24-17(14-25)12-16-13-23-19-10-6-5-9-18(16)19/h2-10,13,17,20,22-23,25H,11-12,14H2,1H3,(H,24,26)/t17-,20-/m0/s1
Definition date:	2019-01-29
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide

B9O

B9O
Name:	N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide
Formula:	C17 H24 N2 O2 S
SMILES:	N(C(C(=O)NC(Cc2c1ccccc1sc2)CO)C(C)C)C
InChi:	InChI=1S/C17H24N2O2S/c1-11(2)16(18-3)17(21)19-13(9-20)8-12-10-22-15-7-5-4-6-14(12)15/h4-7,10-11,13,16,18,20H,8-9H2,1-3H3,(H,19,21)/t13-,16-/m0/s1
Definition date:	2019-01-29
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide

B9R

B9R
Name:	N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide
Formula:	C17 H25 N3 O2
SMILES:	N(C)C(C(NC(Cc2c1c(cccc1)nc2)CO)=O)C(C)C
InChi:	InChI=1S/C17H25N3O2/c1-11(2)16(18-3)17(22)20-13(10-21)8-12-9-19-15-7-5-4-6-14(12)15/h4-7,9,11,13,16,18-19,21H,8,10H2,1-3H3,(H,20,22)/t13-,16-/m0/s1
Definition date:	2019-01-29
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide

B9U

B9U
Name:	(2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide
Formula:	C16 H22 N2 O3
SMILES:	c1cccc2c1c(cn2)CC(NC(C(O)C(C)C)=O)CO
InChi:	InChI=1S/C16H22N2O3/c1-10(2)15(20)16(21)18-12(9-19)7-11-8-17-14-6-4-3-5-13(11)14/h3-6,8,10,12,15,17,19-20H,7,9H2,1-2H3,(H,18,21)/t12-,15-/m0/s1
Definition date:	2019-01-29
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide

JKQ

JKQ
Name:	(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
Formula:	C19 H18 N4 O2 S
SMILES:	CCc1sc2ncnc(N[CH](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3
InChi:	InChI=1S/C19H18N4O2S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(23-10(2)19(24)25)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,24,25)(H,21,22,23)/t10-/m1/s1
Definition date:	2019-03-08
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid

JL5

JL5
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
Formula:	C29 H31 Cl N4 O4 S
SMILES:	CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4cc(N5CCN(C)CC5)c(O)c(Cl)c4C
InChi:	InChI=1S/C29H31ClN4O4S/c1-4-22-23(19-15-20(26(35)25(30)17(19)2)34-12-10-33(3)11-13-34)24-27(31-16-32-28(24)39-22)38-21(29(36)37)14-18-8-6-5-7-9-18/h5-9,15-16,21,35H,4,10-14H2,1-3H3,(H,36,37)/t21-/m1/s1
Definition date:	2019-03-09
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid

<786 787 788 789 790 791 792793794 795 796 797 798 799 800 801 >

222624

數據於2024-07-17公開中

PDB statistics

PDBj update info

Contact PDBj

numon