Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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: 39822 results BIRD

WG5

WG5
Name:	4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid
Formula:	C18 H10 F3 N O3 S2
SMILES:	S=C1SC(=C/c2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F
InChi:	InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-
Definition date:	2023-10-03
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid

XG3

XG3
Name:	N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea
Formula:	C14 H9 Cl2 F3 N2 O2
SMILES:	Clc1ccc(cc1NC(=O)Nc1cc(Cl)ccc1O)C(F)(F)F
InChi:	InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)
Definition date:	2023-11-01
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea

C55

C55
Name:	(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid
Formula:	C8 H11 N3 O7
SMILES:	O=C(CO/N=C/C(=O)NCC(=O)O)NCC(=O)O
InChi:	InChI=1S/C8H11N3O7/c12-5(9-2-7(14)15)1-11-18-4-6(13)10-3-8(16)17/h1H,2-4H2,(H,9,12)(H,10,13)(H,14,15)(H,16,17)/b11-1+
Definition date:	2024-02-15
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid (non-preferred name)

U4R

U4R
Name:	(2E)-but-2-en-1-yl dihydrogen phosphate
Formula:	C4 H9 O4 P
SMILES:	O=P(O)(O)OCC=CC
InChi:	InChI=1S/C4H9O4P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+
Definition date:	2023-08-30
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(2E)-but-2-en-1-yl dihydrogen phosphate

U5O

U5O
Name:	(2E)-2-methylbut-2-en-1-yl dihydrogen phosphate
Formula:	C5 H11 O4 P
SMILES:	O=P(O)(O)OCC(C)=CC
InChi:	InChI=1S/C5H11O4P/c1-3-5(2)4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)/b5-3+
Definition date:	2023-08-30
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(2E)-2-methylbut-2-en-1-yl dihydrogen phosphate

U9O

U9O
Name:	5-azanyl-1-oxidanyl-pentan-2-one
Formula:	C5 H11 N O2
SMILES:	NCCCC(=O)CO
InChi:	InChI=1S/C5H11NO2/c6-3-1-2-5(8)4-7/h7H,1-4,6H2
Definition date:	2023-08-31
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	5-azanyl-1-oxidanyl-pentan-2-one

UA9

UA9
Name:	[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate
Formula:	C40 H56 N4 O7
SMILES:	COC1=CC(=O)N([CH]1Cc2ccccc2)C(=O)CC[CH](C)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)OC(=O)[CH](Cc3ccccc3)N(C)C
InChi:	InChI=1S/C40H56N4O7/c1-26(2)21-31(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-28(5)19-20-36(45)44-32(34(50-8)25-37(44)46)23-29-15-11-9-12-16-29/h9-18,25-28,31-33,35H,19-24H2,1-8H3,(H,41,47)(H,42,48)/t28-,31-,32-,33-,35-/m0/s1
Definition date:	2023-01-31
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate

UE0

UE0
Name:	(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid
Formula:	C15 H19 N O3
SMILES:	CC(=O)N1CCC[C](C1)(C(O)=O)c2ccc(C)cc2
InChi:	InChI=1S/C15H19NO3/c1-11-4-6-13(7-5-11)15(14(18)19)8-3-9-16(10-15)12(2)17/h4-7H,3,8-10H2,1-2H3,(H,18,19)/t15-/m1/s1
Definition date:	2023-02-01
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid

A1H0F

A1H0F
Name:	(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol
Formula:	C5 H8 F2 O3
SMILES:	OC[CH]1OCC(F)(F)[CH]1O
InChi:	InChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
Definition date:	2023-12-15
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol

A1H4B

A1H4B
Name:	3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid
Formula:	C23 H22 N6 O5 S
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cc(cc(c4)c5cccnc5)C(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C23H22N6O5S/c24-20-17-21(27-10-26-20)29(11-28-17)22-19(31)18(30)16(34-22)9-35-8-12-4-14(6-15(5-12)23(32)33)13-2-1-3-25-7-13/h1-7,10-11,16,18-19,22,30-31H,8-9H2,(H,32,33)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1
Synonyms:	3-(((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)methyl)-5-(pyridin-3-yl)benzoic acid
Definition date:	2024-02-13
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid

I6I

I6I
Name:	N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid
Formula:	C32 H38 F N7 O12
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)CCC(NC(=O)CCC(NC(=O)c1ccc(cc1F)CCCCn1ccc2NC(N)=NC(=O)c21)C(=O)O)C(=O)O
InChi:	InChI=1S/C32H38FN7O12/c33-18-15-16(3-1-2-13-40-14-12-19-26(40)28(46)39-32(34)38-19)4-5-17(18)27(45)37-22(31(51)52)7-10-24(42)35-20(29(47)48)6-9-23(41)36-21(30(49)50)8-11-25(43)44/h4-5,12,14-15,20-22H,1-3,6-11,13H2,(H,35,42)(H,36,41)(H,37,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H3,34,38,39,46)/t20-,21+,22+/m0/s1
Definition date:	2023-07-27
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid

I0B

I0B
Name:	5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine
Formula:	C30 H38 Br N11 O4
SMILES:	Brc1cccc(c1)NC(=N)NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C30H38BrN11O4/c31-20-8-4-9-21(14-20)40-29(33)34-10-5-12-41(13-11-35-30(45)36-15-19-6-2-1-3-7-19)16-22-24(43)25(44)28(46-22)42-18-39-23-26(32)37-17-38-27(23)42/h1-4,6-9,14,17-18,22,24-25,28,43-44H,5,10-13,15-16H2,(H2,32,37,38)(H3,33,34,40)(H2,35,36,45)/t22-,24-,25-,28-/m1/s1
Definition date:	2023-05-01
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine

RK3

RK3
Name:	(1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol
Formula:	C17 H21 N5 O13 P2
SMILES:	O[CH]1[CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O2)n4cnc5c6nccn6cnc45
InChi:	InChI=1S/C17H21N5O13P2/c23-10-7-3-30-36(26,27)35-37(28,29)31-4-8-13(34-17(33-7)11(10)24)12(25)16(32-8)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-25H,3-4H2,(H,26,27)(H,28,29)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1
Synonyms:	1''-3'gc(etheno)ADPR
Definition date:	2022-11-30
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(1~{S},3~{S},4~{R},5~{R},7~{R},15~{R},16~{S},17~{R})-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol

XZX

XZX
Name:	(2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide
Formula:	C9 H9 Cl2 N O2
SMILES:	Clc1cc(NC(=O)C(C)O)cc(Cl)c1
InChi:	InChI=1S/C9H9Cl2NO2/c1-5(13)9(14)12-8-3-6(10)2-7(11)4-8/h2-5,13H,1H3,(H,12,14)/t5-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide

Y0C

Y0C
Name:	(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
Formula:	C9 H8 F N O S
SMILES:	O=C1NC(SC1)c1ccccc1F
InChi:	InChI=1S/C9H8FNOS/c10-7-4-2-1-3-6(7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)/t9-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one

WN9

WN9
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-2-azanyl-3-methyl-butanoate
Formula:	C15 H23 N6 O8 P
SMILES:	CC(C)[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C15H23N6O8P/c1-6(2)8(16)15(24)29-30(25,26)27-3-7-10(22)11(23)14(28-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-8,10-11,14,22-23H,3,16H2,1-2H3,(H,25,26)(H2,17,18,19)/t7-,8+,10-,11-,14-/m1/s1
Synonyms:	Valyl adenylate
Definition date:	2023-10-11
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-3-methyl-butanoate

Y0L

Y0L
Name:	N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide
Formula:	C16 H15 N O2
SMILES:	O=C(NCc1cc2CCOc2cc1)c1ccccc1
InChi:	InChI=1S/C16H15NO2/c18-16(13-4-2-1-3-5-13)17-11-12-6-7-15-14(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide

Y0O

Y0O
Name:	5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid
Formula:	C15 H17 N O2
SMILES:	OC(=O)c1cc(C#CCC2CCCCC2)cnc1
InChi:	InChI=1S/C15H17NO2/c17-15(18)14-9-13(10-16-11-14)8-4-7-12-5-2-1-3-6-12/h9-12H,1-3,5-7H2,(H,17,18)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid

Y0W

Y0W
Name:	2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole
Formula:	C12 H12 F3 N3
SMILES:	FC(F)(F)c1cc2nc([NH]c2cc1)C1CCNC1
InChi:	InChI=1S/C12H12F3N3/c13-12(14,15)8-1-2-9-10(5-8)18-11(17-9)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6H2,(H,17,18)/t7-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole

XKU

XKU
Name:	1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol
Formula:	C20 H27 F3 N6 O3 S
SMILES:	O=S(=O)(C1CC1)N1CCC(Nc2nc(c3cn(CC(C)(C)O)nc3)c(cn2)C(F)(F)F)CC1
InChi:	InChI=1S/C20H27F3N6O3S/c1-19(2,30)12-28-11-13(9-25-28)17-16(20(21,22)23)10-24-18(27-17)26-14-5-7-29(8-6-14)33(31,32)15-3-4-15/h9-11,14-15,30H,3-8,12H2,1-2H3,(H,24,26,27)
Definition date:	2023-11-03
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol

Y1C

Y1C
Name:	4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one
Formula:	C6 H7 Br2 N3 O
SMILES:	O=C(C)CCn1nc(Br)c(Br)n1
InChi:	InChI=1S/C6H7Br2N3O/c1-4(12)2-3-11-9-5(7)6(8)10-11/h2-3H2,1H3
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one

Y1L

Y1L
Name:	(5-chloro-1-benzothiophen-3-yl)methanol
Formula:	C9 H7 Cl O S
SMILES:	Clc1cc2c(cc1)scc2CO
InChi:	InChI=1S/C9H7ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(5-chloro-1-benzothiophen-3-yl)methanol

W6O

W6O
Name:	(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide
Formula:	C22 H24 Cl2 N2 O3 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)N2C[CH]3CC(C[CH]3C2)C(=O)NCc4ccc(Cl)cc4Cl
InChi:	InChI=1S/C22H24Cl2N2O3S/c1-14-2-6-20(7-3-14)30(28,29)26-12-17-8-16(9-18(17)13-26)22(27)25-11-15-4-5-19(23)10-21(15)24/h2-7,10,16-18H,8-9,11-13H2,1H3,(H,25,27)/t16-,17+,18-
Definition date:	2023-09-26
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide

Y1R

Y1R
Name:	(1S)-1-(1H-pyrazol-5-yl)ethan-1-ol
Formula:	C5 H8 N2 O
SMILES:	CC(O)c1ccn[NH]1
InChi:	InChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-4,8H,1H3,(H,6,7)/t4-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(1S)-1-(1H-pyrazol-5-yl)ethan-1-ol

Y2C

Y2C
Name:	3,5-dichloropyridin-4-amine
Formula:	C5 H4 Cl2 N2
SMILES:	Clc1cncc(Cl)c1N
InChi:	InChI=1S/C5H4Cl2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	3,5-dichloropyridin-4-amine

<35 36 37 38 39 40 414243 44 45 46 47 48 49 50 >

222415

건을2024-07-10부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon