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Y59

Y59
Name:	7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one
Formula:	C22 H24 N7 O
SMILES:	Cc1cn2nc(cc(C)c2n1)C3=CC(=O)[n]4cc(ccc4N3)N5CCNC6(CC6)C5
InChi:	InChI=1S/C22H24N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3,(H,25,30)
Definition date:	2023-11-21
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one

ZR0

ZR0
Name:	4-bromobenzene-1,3-dicarboxylic acid
Formula:	C8 H5 Br O4
SMILES:	OC(=O)c1cc(ccc1Br)C(=O)O
InChi:	InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	4-bromobenzene-1,3-dicarboxylic acid

ZR3

ZR3
Name:	2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid
Formula:	C10 H9 Cl N2 O3
SMILES:	O=C(O)c1cc(ccc1Cl)N1CCNC1=O
InChi:	InChI=1S/C10H9ClN2O3/c11-8-2-1-6(5-7(8)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid

ZR6

ZR6
Name:	2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
Formula:	C11 H12 N2 O3
SMILES:	O=C(O)c1cccc(c1C)N1CCNC1=O
InChi:	InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid

ZR9

ZR9
Name:	2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
Formula:	C9 H6 N2 O4
SMILES:	O=C(O)c1ccc2NC(=O)NC(=O)c2c1
InChi:	InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid

ZRE

ZRE
Name:	7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Formula:	C10 H8 F N O3
SMILES:	O=C(O)c1cc2CCC(=O)Nc2cc1F
InChi:	InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

ZRI

ZRI
Name:	(1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
Formula:	C9 H9 N O2
SMILES:	O=C(O)C1CC1c1ccccn1
InChi:	InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m0/s1
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid

ZRZ

ZRZ
Name:	3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid
Formula:	C16 H19 N O4
SMILES:	O=C(O)c1cccc(c1)C(=O)N1CC2(CCCC2)OCC1
InChi:	InChI=1S/C16H19NO4/c18-14(12-4-3-5-13(10-12)15(19)20)17-8-9-21-16(11-17)6-1-2-7-16/h3-5,10H,1-2,6-9,11H2,(H,19,20)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid

ZS5

ZS5
Name:	(3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
Formula:	C13 H13 N O3 S
SMILES:	O=C(O)C1CSC2(CCC(=O)N12)c1ccccc1
InChi:	InChI=1S/C13H13NO3S/c15-11-6-7-13(9-4-2-1-3-5-9)14(11)10(8-18-13)12(16)17/h1-5,10H,6-8H2,(H,16,17)/t10-,13+/m0/s1
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

WVK

WVK
Name:	(2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide
Formula:	C11 H9 N3 O S
SMILES:	O=C(/C=C/c1cccs1)Nc1ncccn1
InChi:	InChI=1S/C11H9N3OS/c15-10(5-4-9-3-1-8-16-9)14-11-12-6-2-7-13-11/h1-8H,(H,12,13,14,15)/b5-4+
Definition date:	2023-10-16
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide

XS8

XS8
Name:	(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine
Formula:	C9 H10 F N O
SMILES:	N[CH]1CCOc2ccc(F)cc12
InChi:	InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1
Definition date:	2023-11-09
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine

Y9J

Y9J
Name:	2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid
Formula:	C23 H34 O5
SMILES:	CCCCC[CH](O)CC[CH]1[CH](O)C[CH]2Cc3c(C[CH]12)cccc3OCC(O)=O
InChi:	InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1
Definition date:	2023-11-28
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid

Y9Q

Y9Q
Name:	2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid
Formula:	C25 H29 N3 O3
SMILES:	CC(C)N(CCCCOCC(O)=O)c1cnc(c2ccccc2)c(n1)c3ccccc3
InChi:	InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)
Definition date:	2023-11-28
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid

YQT

YQT
Name:	3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline
Formula:	C16 H11 N3
SMILES:	[nH]1cc(c2ccncc2)c3cc4ccncc4cc13
InChi:	InChI=1S/C16H11N3/c1-4-17-5-2-11(1)15-10-19-16-8-13-9-18-6-3-12(13)7-14(15)16/h1-10,19H
Definition date:	2023-12-11
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline

P1U

P1U
Name:	5-(4-chlorophenyl)furan-2-carboxylic acid
Formula:	C11 H7 Cl O3
SMILES:	OC(=O)c1ccc(o1)c1ccc(Cl)cc1
InChi:	InChI=1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
Definition date:	2022-05-23
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	5-(4-chlorophenyl)furan-2-carboxylic acid

YB3

YB3
Name:	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
Formula:	C21 H21 F N6
SMILES:	CN1CCN(CC1)c2ccc3nc(ncc3c2)c4cn5cc(C)nc5c(F)c4
InChi:	InChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3
Definition date:	2023-11-30
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline

WYC

WYC
Name:	2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid
Formula:	C18 H12 Cl F6 N O3 S
SMILES:	OC(=O)c1cc(Cl)ccc1NC(=O)CSCc2cc(cc(c2)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C18H12ClF6NO3S/c19-12-1-2-14(13(6-12)16(28)29)26-15(27)8-30-7-9-3-10(17(20,21)22)5-11(4-9)18(23,24)25/h1-6H,7-8H2,(H,26,27)(H,28,29)
Definition date:	2023-05-23
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid

UR9

UR9
Name:	(E)-4-methoxy-4-oxidanylidene-but-2-enoic acid
Formula:	C5 H6 O4
SMILES:	COC(=O)C=CC(O)=O
InChi:	InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+
Synonyms:	Monomethyl fumarate
Definition date:	2023-06-18
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(~{E})-4-methoxy-4-oxidanylidene-but-2-enoic acid

NWF

NWF
Name:	5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide
Formula:	C29 H35 Cl N4 O4 S3
SMILES:	Clc1sc(cc1)C(=O)NC[CH]2NC(=O)CCSCc3ccc(CSCC4CN(C4)C(=O)[CH]5CCC[N](C5)C2=O)cc3
InChi:	InChI=1S/C29H35ClN4O4S3/c30-25-8-7-24(41-25)27(36)31-12-23-29(38)33-10-1-2-22(15-33)28(37)34-13-21(14-34)18-40-17-20-5-3-19(4-6-20)16-39-11-9-26(35)32-23/h3-8,21-23H,1-2,9-18H2,(H,31,36)(H,32,35)/t22-,23+/m0/s1
Definition date:	2022-08-24
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide

V70

V70
Name:	ruthenium polypyridyl complex (delta enantiomer)
Formula:	C38 H24 N6 Ru
SMILES:	[N-]1c2c([N-][Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12
InChi:	InChI=1S/C14H8N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16
Definition date:	2023-02-23
Last modified:	2024-03-01
Release date:	2024-03-06

V7F

V7F
Name:	ruthenium polypyridyl complex (lambda enantiomer)
Formula:	C38 H24 N6 Ru
SMILES:	[N-]1c2c([N-][Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12
InChi:	InChI=1S/C14H8N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16
Definition date:	2023-02-23
Last modified:	2024-03-01
Release date:	2024-03-06

Q1L

Q1L
Name:	(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C24 H20 F3 N7 O4 S
SMILES:	Cc1sc2cc(ccc2n1)n3ncnc3[CH]4O[CH](CO)[CH](O)[CH]([CH]4O)n5cc(nn5)c6cc(F)c(F)c(F)c6
InChi:	InChI=1S/C24H20F3N7O4S/c1-10-30-15-3-2-12(6-18(15)39-10)34-24(28-9-29-34)23-22(37)20(21(36)17(8-35)38-23)33-7-16(31-32-33)11-4-13(25)19(27)14(26)5-11/h2-7,9,17,20-23,35-37H,8H2,1H3/t17-,20+,21+,22-,23-/m1/s1
Definition date:	2023-03-10
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

JL3

JL3
Name:	[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-pentadecanoyloxy-propyl] pentadecanoate
Formula:	C35 H70 N O8 P
SMILES:	CCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC
InChi:	InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1
Synonyms:	1,2-Dipentadecanoyl-sn-glycero-3-phosphoethanolamine
Definition date:	2023-08-08
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-pentadecanoyloxy-propyl] pentadecanoate

JLQ

JLQ
Name:	[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradecanoyloxy-propyl] hexadecanoate
Formula:	C35 H70 N O8 P
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC
InChi:	InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1
Synonyms:	1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphoethanolamine
Definition date:	2023-08-08
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradecanoyloxy-propyl] hexadecanoate

JM9

JM9
Name:	1,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate
Formula:	C48 H92 O6
SMILES:	CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
InChi:	InChI=1S/C48H92O6/c1-6-7-8-9-10-11-12-13-18-25-30-35-40-48(51)54-45(41-52-46(49)38-33-28-23-19-14-16-21-26-31-36-43(2)3)42-53-47(50)39-34-29-24-20-15-17-22-27-32-37-44(4)5/h43-45H,6-42H2,1-5H3
Definition date:	2023-08-08
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	1,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate

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