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: 44195 results BIRD

WNO

WNO
Name:	2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine
Formula:	C15 H18 N4
SMILES:	CCN1CCN[CH]1c2cccc(n2)c3ccccn3
InChi:	InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1
Definition date:	2023-10-09
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine

VE6

VE6
Name:	2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C16 H10 Br N O4
SMILES:	Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23
InChi:	InChI=1S/C16H10BrNO4/c17-9-1-6-14-12(7-9)13(15(20)16(21)22)8-18(14)10-2-4-11(19)5-3-10/h1-8,19H,(H,21,22)
Synonyms:	2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
Definition date:	2021-05-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

VEO

VEO
Name:	5-methoxy-1H-indole-2-carboxylic acid
Formula:	C10 H9 N O3
SMILES:	COc1ccc2[nH]c(cc2c1)C(O)=O
InChi:	InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
Definition date:	2023-03-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-methoxy-1~{H}-indole-2-carboxylic acid

WCW

WCW
Name:	4-azanyl-1-phenyl-piperidine-4-carboxylic acid
Formula:	C12 H16 N2 O2
SMILES:	NC1(CCN(CC1)c2ccccc2)C(O)=O
InChi:	InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-azanyl-1-phenyl-piperidine-4-carboxylic acid

WD2

WD2
Name:	1-[4-(trifluoromethyl)pyridin-2-yl]piperazine
Formula:	C10 H12 F3 N3
SMILES:	FC(F)(F)c1ccnc(c1)N2CCNCC2
InChi:	InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	1-[4-(trifluoromethyl)pyridin-2-yl]piperazine

WD5

WD5
Name:	4-(4-chlorophenyl)piperidin-4-ol
Formula:	C11 H14 Cl N O
SMILES:	OC1(CCNCC1)c2ccc(Cl)cc2
InChi:	InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(4-chlorophenyl)piperidin-4-ol

TXJ

TXJ
Name:	[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid
Formula:	C8 H16 N3 O12 P3
SMILES:	NC1=NC(=O)N(C[CH](CO)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C1
InChi:	InChI=1S/C8H16N3O12P3/c9-7-1-2-11(8(13)10-7)3-6(4-12)21-5-24(14,15)22-26(19,20)23-25(16,17)18/h1-2,6,12H,3-5H2,(H,14,15)(H,19,20)(H2,9,10,13)(H2,16,17,18)/t6-/m0/s1
Definition date:	2023-05-10
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	[(2~{S})-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid

A1H9R

A1H9R
Name:	~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide
Formula:	C11 H17 N3 O
SMILES:	Cn1cc(C(=O)NCC2CCC2)c(C)n1
InChi:	InChI=1S/C11H17N3O/c1-8-10(7-14(2)13-8)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)
Definition date:	2024-04-29
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide

A1H9U

A1H9U
Name:	~{N}-(3-azanyl-2-methyl-phenyl)propanamide
Formula:	C10 H14 N2 O
SMILES:	CCC(=O)Nc1cccc(N)c1C
InChi:	InChI=1S/C10H14N2O/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13)
Synonyms:	N-(3-amino-2-methylphenyl)propanamide
Definition date:	2024-04-29
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	~{N}-(3-azanyl-2-methyl-phenyl)propanamide

A1H9V

A1H9V
Name:	~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide
Formula:	C5 H9 N3 O2 S
SMILES:	CN(C)[S](=O)(=O)c1c[nH]nc1
InChi:	InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)
Synonyms:	N,N-dimethyl-1H-pyrazole-4-sulfonamide
Definition date:	2024-04-29
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide

4Q8

4Q8
Name:	5-methyl-1-(phenylmethyl)imidazole
Formula:	C11 H12 N2
SMILES:	Cc1cncn1Cc2ccccc2
InChi:	InChI=1S/C11H12N2/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
Definition date:	2023-01-09
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-methyl-1-(phenylmethyl)imidazole

F3L

F3L
Name:	4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile
Formula:	C17 H16 Cl F N4 O4 S
SMILES:	NC[C]1(O)CN(C[CH]1Oc2ccc(C#N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3
InChi:	InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1
Synonyms:	4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile
Definition date:	2023-06-27
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile

F9M

F9M
Name:	[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Formula:	C25 H23 F3 N8 O S2
SMILES:	Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2
InChi:	InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)/t17-,18+
Definition date:	2023-07-04
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

FDO

FDO
Name:	(2~{R})-4-methyl-2-(methylamino)pentanamide
Formula:	C7 H16 N2 O
SMILES:	CN[CH](CC(C)C)C(N)=O
InChi:	InChI=1S/C7H16N2O/c1-5(2)4-6(9-3)7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10)/t6-/m1/s1
Definition date:	2023-07-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2~{R})-4-methyl-2-(methylamino)pentanamide

HWF

HWF
Name:	(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
Formula:	C13 H17 N O2
SMILES:	O=C(O)C(Cc1ccccc1)C1CCNC1
InChi:	InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
Synonyms:	LY3353871
Definition date:	2023-07-22
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid

IJM

IJM
Name:	(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
Formula:	C14 H8 F3 N5 O4
SMILES:	O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1
InChi:	InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22)
Definition date:	2023-08-01
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid

JEI

JEI
Name:	(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid
Formula:	C15 H24 N6 O9 P2
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10+/m1/s1
Definition date:	2023-08-07
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid

JG6

JG6
Name:	{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
Formula:	C13 H19 N6 O6 P
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1CO)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C13H19N6O6P/c14-13-16-11-10(12(22)17-13)15-6-19(11)7-3-8(5-20)18(4-7)9(21)1-2-26(23,24)25/h6-8,20H,1-5H2,(H2,23,24,25)(H3,14,16,17,22)/t7-,8+/m1/s1
Definition date:	2023-08-07
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid

1CC

1CC
Name:	5-carboxy-2'-deoxycytidine monophosphate
Formula:	C10 H14 N3 O9 P
SMILES:	O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:	InChI=1S/C10H14N3O9P/c11-8-4(9(15)16)2-13(10(17)12-8)7-1-5(14)6(22-7)3-21-23(18,19)20/h2,5-7,14H,1,3H2,(H,15,16)(H2,11,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1
Definition date:	2011-11-17
Last modified:	2024-04-29
Identifier:	5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate)

UH9

UH9
Name:	[2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Formula:	C16 H15 F3 N O5 P
SMILES:	O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2cccc(F)c2
InChi:	InChI=1S/C16H15F3NO5P/c17-12-5-3-4-11(8-12)16(18,19)10-20-15(21)9-25-13-6-1-2-7-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24)
Definition date:	2023-02-03
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	[2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

ZJT

ZJT
Name:	(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
Formula:	C13 H9 F O2 S
SMILES:	O=C(O)c1cc2CCc3cc(F)ccc3c2s1
InChi:	InChI=1S/C13H9FO2S/c14-9-3-4-10-7(5-9)1-2-8-6-11(13(15)16)17-12(8)10/h3-6H,1-2H2,(H,15,16)
Definition date:	2023-06-27
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid

XSL

XSL
Name:	[2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Formula:	C16 H15 F3 N O5 P
SMILES:	O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2F
InChi:	InChI=1S/C16H15F3NO5P/c17-12-6-2-1-5-11(12)16(18,19)10-20-15(21)9-25-13-7-3-4-8-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24)
Definition date:	2023-01-30
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	[2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

Y6E

Y6E
Name:	1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile
Formula:	C25 H23 F N4 O3 S
SMILES:	O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1
InChi:	InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
Definition date:	2023-06-12
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile

U5U

U5U
Name:	~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine
Formula:	C15 H15 N4 Pd S
SMILES:	CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd]
InChi:	InChI=1S/C15H16N4S.Pd/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13
Definition date:	2023-05-17
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine

UKX

UKX
Name:	(2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide
Formula:	C8 H14 N2 O2
SMILES:	CC[CH](N1CCCC1=O)C(N)=O
InChi:	InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1
Synonyms:	levetiracetam
Definition date:	2023-06-09
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(2~{S})-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide

<306 307 308 309 310 311 312313314 315 316 317 318 319 320 321 >

243083

数据于2025-10-15公开中

PDB statistics

PDBj update info

Contact PDBj

numon