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: 43993 results BIRD

U6O

U6O
Name:	2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:	C18 H19 N3 O4 S
SMILES:	O=C(Nc1sc(C)c(C)c1c1nc(no1)C1CC1)C=1CCCC=1C(=O)O
InChi:	InChI=1S/C18H19N3O4S/c1-8-9(2)26-17(13(8)16-19-14(21-25-16)10-6-7-10)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

WBR

WBR
Name:	(3P)-2-tert-butyl-6-ethyl-4,5-diphenyl-3-(1H-tetrazol-5-yl)pyridine
Formula:	C24 H25 N5
SMILES:	CC(C)(C)c1nc(CC)c(c2ccccc2)c(c1c1nnn[NH]1)c1ccccc1
InChi:	InChI=1S/C24H25N5/c1-5-18-19(16-12-8-6-9-13-16)20(17-14-10-7-11-15-17)21(23-26-28-29-27-23)22(25-18)24(2,3)4/h6-15H,5H2,1-4H3,(H,26,27,28,29)
Definition date:	2023-05-10
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3P)-2-tert-butyl-6-ethyl-4,5-diphenyl-3-(1H-tetrazol-5-yl)pyridine

UKN

UKN
Name:	(4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Formula:	C12 H8 Cl F N2 O4
SMILES:	O=C1NC(C(=O)OCc2ccc(Cl)cc2)=C(F)C(=O)N1
InChi:	InChI=1S/C12H8ClFN2O4/c13-7-3-1-6(2-4-7)5-20-11(18)9-8(14)10(17)16-12(19)15-9/h1-4H,5H2,(H2,15,16,17,19)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate

Y6L

Y6L
Name:	4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide
Formula:	C26 H27 F N4 O4
SMILES:	O=C(NNC(=O)c1ccc(OC2CC2)c(OC)c1)c1cc(cc(n1)c1ccc(F)cc1)C(C)(C)N
InChi:	InChI=1S/C26H27FN4O4/c1-26(2,28)17-13-20(15-4-7-18(27)8-5-15)29-21(14-17)25(33)31-30-24(32)16-6-11-22(23(12-16)34-3)35-19-9-10-19/h4-8,11-14,19H,9-10,28H2,1-3H3,(H,30,32)(H,31,33)
Definition date:	2023-01-06
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide

U8H

U8H
Name:	6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione
Formula:	C11 H11 N3 O S2
SMILES:	COc1ccc(cc1)CC1=NNC(=S)NC1=S
InChi:	InChI=1S/C11H11N3OS2/c1-15-8-4-2-7(3-5-8)6-9-10(16)12-11(17)14-13-9/h2-5H,6H2,1H3,(H2,12,14,16,17)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione

VVL

VVL
Name:	6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione
Formula:	C10 H9 N3 S2
SMILES:	S=C1NC(=S)C(Cc2ccccc2)=NN1
InChi:	InChI=1S/C10H9N3S2/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione

WDE

WDE
Name:	3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid
Formula:	C18 H16 N2 O3 S
SMILES:	O=C(O)CCSC(Nc1ccccc1)=C1/c2ccccc2NC1=O
InChi:	InChI=1S/C18H16N2O3S/c21-15(22)10-11-24-18(19-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)20-17(16)23/h1-9,19H,10-11H2,(H,20,23)(H,21,22)/b18-16+
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid

WDI

WDI
Name:	(1S)-5-hydroxy-4'-(trifluoromethyl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
Formula:	C13 H11 F3 O2
SMILES:	FC(F)(F)c1ccc(cc1)C1CC(O)=CC(=O)C1
InChi:	InChI=1S/C13H11F3O2/c14-13(15,16)10-3-1-8(2-4-10)9-5-11(17)7-12(18)6-9/h1-4,7,9,17H,5-6H2/t9-/m0/s1
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1S)-5-hydroxy-4'-(trifluoromethyl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one

VVU

VVU
Name:	dirhodium (II) tetraacetate
Formula:	C8 H16 O8 Rh2
SMILES:	C[CH]1O[Rh++]234O[CH](C)O[Rh++]2(O1)(O[CH](C)O3)O[CH](C)O4
InChi:	InChI=1S/4C2H4O2.2Rh/c4*1-2(3)4
Synonyms:	Rhodium(II) acetate
Definition date:	2023-04-12
Last modified:	2023-06-09
Release date:	2023-06-14

WDO

WDO
Name:	1-[bis(oxidanyl)-$l^{3}-sulfanyl]-4-(4-chloranylphenoxy)benzene
Formula:	C12 H10 Cl O3 S
SMILES:	Clc1ccc(Oc2ccc(cc2)[S+](O)O)cc1
InChi:	InChI=1S/C12H10ClO3S/c13-9-1-3-10(4-2-9)16-11-5-7-12(8-6-11)17(14)15/h1-8,14-15H/q+1
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[4-(4-chlorophenoxy)phenyl](dihydroxy)sulfanium

VW5

VW5
Name:	dirhodium (II) oxide
Formula:	H8 O8 Rh2
SMILES:	O[Rh++](O)(O)(O)[Rh++](O)(O)(O)O
InChi:	InChI=1S/8H2O.2Rh/h8*1H2
Definition date:	2023-04-12
Last modified:	2023-06-09
Release date:	2023-06-14

WE2

WE2
Name:	6-(difluoromethyl)-5-(methoxycarbonyl)-4-(2-methylpropyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
Formula:	C14 H14 F5 N O4
SMILES:	FC(F)(F)c1nc(c(c(CC(C)C)c1C(=O)O)C(=O)OC)C(F)F
InChi:	InChI=1S/C14H14F5NO4/c1-5(2)4-6-7(13(23)24-3)9(11(15)16)20-10(14(17,18)19)8(6)12(21)22/h5,11H,4H2,1-3H3,(H,21,22)
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-(difluoromethyl)-5-(methoxycarbonyl)-4-(2-methylpropyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid

WE6

WE6
Name:	1-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-D-proline
Formula:	C19 H22 N4 O4 S
SMILES:	O=C(O)C1CCCN1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1
InChi:	InChI=1S/C19H22N4O4S/c24-18(25)12-5-3-9-23(12)19(26)21-17-14(11-4-1-2-6-13(11)28-17)16-20-15(22-27-16)10-7-8-10/h10,12H,1-9H2,(H,21,26)(H,24,25)/t12-/m1/s1
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	1-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-D-proline

WEA

WEA
Name:	(1S,2R)-2-(phenoxymethyl)cyclohexane-1-carboxylic acid
Formula:	C14 H18 O3
SMILES:	O=C(O)C1CCCCC1COc1ccccc1
InChi:	InChI=1S/C14H18O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10H2,(H,15,16)/t11-,13-/m0/s1
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1S,2R)-2-(phenoxymethyl)cyclohexane-1-carboxylic acid

WED

WED
Name:	{(1R,2S)-2-[(2-chlorophenyl)methyl]-1-hydroxycyclohexyl}acetic acid
Formula:	C15 H19 Cl O3
SMILES:	OC1(CC(=O)O)CCCCC1Cc1ccccc1Cl
InChi:	InChI=1S/C15H19ClO3/c16-13-7-2-1-5-11(13)9-12-6-3-4-8-15(12,19)10-14(17)18/h1-2,5,7,12,19H,3-4,6,8-10H2,(H,17,18)/t12-,15+/m0/s1
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	{(1R,2S)-2-[(2-chlorophenyl)methyl]-1-hydroxycyclohexyl}acetic acid

WEI

WEI
Name:	thieno[2,3-d]pyrimidine-2,4-diamine
Formula:	C6 H6 N4 S
SMILES:	Nc1nc(N)nc2sccc12
InChi:	InChI=1S/C6H6N4S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H4,7,8,9,10)
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	thieno[2,3-d]pyrimidine-2,4-diamine

XB8

XB8
Name:	~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine
Formula:	C28 H32 F N O2
SMILES:	COc1cccc(CN(CCCc2ccccc2F)C3CCC3)c1OCc4ccccc4
InChi:	InChI=1S/C28H32FNO2/c1-31-27-18-7-13-24(28(27)32-21-22-10-3-2-4-11-22)20-30(25-15-8-16-25)19-9-14-23-12-5-6-17-26(23)29/h2-7,10-13,17-18,25H,8-9,14-16,19-21H2,1H3
Definition date:	2023-02-06
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine

WEN

WEN
Name:	[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid
Formula:	C13 H19 N O3
SMILES:	O=C(O)Cc1nc(oc1C)C1(C)CCCCC1
InChi:	InChI=1S/C13H19NO3/c1-9-10(8-11(15)16)14-12(17-9)13(2)6-4-3-5-7-13/h3-8H2,1-2H3,(H,15,16)
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid

WER

WER
Name:	(3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
Formula:	C21 H22 N6 S
SMILES:	Cc1ccsc1c1nc(N(C)C(C)C)c(c2nnn[NH]2)c(c1)c1ccccc1
InChi:	InChI=1S/C21H22N6S/c1-13(2)27(4)21-18(20-23-25-26-24-20)16(15-8-6-5-7-9-15)12-17(22-21)19-14(3)10-11-28-19/h5-13H,1-4H3,(H,23,24,25,26)
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine

VI0

VI0
Name:	(10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine
Formula:	C18 H16 N4
SMILES:	Nc1nc2NC(c3ccccc3Cc2cn1)c1ccccc1
InChi:	InChI=1S/C18H16N4/c19-18-20-11-14-10-13-8-4-5-9-15(13)16(21-17(14)22-18)12-6-2-1-3-7-12/h1-9,11,16H,10H2,(H3,19,20,21,22)/t16-/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine

VI9

VI9
Name:	2-({(3P)-4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}carbamoyl)cyclopent-1-ene-1-carboxylic acid
Formula:	C18 H16 F3 N3 O4 S
SMILES:	O=C(Nc1sc(C)c(c1c1nc(no1)C(F)(F)F)C1CC1)C=1CCCC=1C(=O)O
InChi:	InChI=1S/C18H16F3N3O4S/c1-7-11(8-5-6-8)12(14-23-17(24-28-14)18(19,20)21)15(29-7)22-13(25)9-3-2-4-10(9)16(26)27/h8H,2-6H2,1H3,(H,22,25)(H,26,27)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-({(3P)-4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}carbamoyl)cyclopent-1-ene-1-carboxylic acid

WF6

WF6
Name:	5-[(2-chlorophenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Formula:	C12 H14 Cl N3 O S
SMILES:	Sc1nnc(COc2ccccc2Cl)n1C(C)C
InChi:	InChI=1S/C12H14ClN3OS/c1-8(2)16-11(14-15-12(16)18)7-17-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,15,18)
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[(2-chlorophenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

WFC

WFC
Name:	(3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid
Formula:	C13 H12 Cl N O3
SMILES:	O=C(O)C1CC2C(C1)ON=C2c1ccc(Cl)cc1
InChi:	InChI=1S/C13H12ClNO3/c14-9-3-1-7(2-4-9)12-10-5-8(13(16)17)6-11(10)18-15-12/h1-4,8,10-11H,5-6H2,(H,16,17)/t8-,10-,11+/m1/s1
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid

WFK

WFK
Name:	(1R,3R,4S)-3-(4-chlorobenzoyl)-4-hydroxycyclopentane-1-carboxylic acid
Formula:	C13 H13 Cl O4
SMILES:	O=C(C1CC(CC1O)C(=O)O)c1ccc(Cl)cc1
InChi:	InChI=1S/C13H13ClO4/c14-9-3-1-7(2-4-9)12(16)10-5-8(13(17)18)6-11(10)15/h1-4,8,10-11,15H,5-6H2,(H,17,18)/t8-,10-,11+/m1/s1
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,3R,4S)-3-(4-chlorobenzoyl)-4-hydroxycyclopentane-1-carboxylic acid

UO3

UO3
Name:	4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol
Formula:	C15 H21 N4 O S2
SMILES:	CCCCCCSc1nc(O)[n](Cc2cccnc2)c(S)n1
InChi:	InChI=1S/C15H21N4OS2/c1-2-3-4-5-9-22-13-17-14(20)19(15(21)18-13)11-12-7-6-8-16-10-12/h6-8,10H,2-5,9,11H2,1H3,(H2,17,18,20,21)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol

<199 200 201 202 203 204 205206207 208 209 210 211 212 213 214 >

224931

数据于2024-09-11公开中

PDB statistics

PDBj update info

Contact PDBj

numon