Chemie Search results for query - Protein Data Bank Japan

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

A1BFC

A1BFC
Name:	3-(2-methylpropanamido)benzamide
Formula:	C11 H14 N2 O2
SMILES:	O=C(Nc1cc(ccc1)C(N)=O)C(C)C
InChi:	InChI=1S/C11H14N2O2/c1-7(2)11(15)13-9-5-3-4-8(6-9)10(12)14/h3-7H,1-2H3,(H2,12,14)(H,13,15)
Definition date:	2024-11-04
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	3-(2-methylpropanamido)benzamide

A1BFF

A1BFF
Name:	N-{[(3S)-1-acetylpiperidin-3-yl]methyl}methanesulfonamide
Formula:	C9 H18 N2 O3 S
SMILES:	O=C(C)N1CCCC(CNS(C)(=O)=O)C1
InChi:	InChI=1S/C9H18N2O3S/c1-8(12)11-5-3-4-9(7-11)6-10-15(2,13)14/h9-10H,3-7H2,1-2H3
Definition date:	2024-11-04
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	N-{[(3S)-1-acetylpiperidin-3-yl]methyl}methanesulfonamide

A1BFQ

A1BFQ
Name:	1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol
Formula:	C7 H8 N4 O
SMILES:	Oc1nncc2c1n(C)nc2C
InChi:	InChI=1S/C7H8N4O/c1-4-5-3-8-9-7(12)6(5)11(2)10-4/h3H,1-2H3,(H,9,12)
Definition date:	2024-11-04
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol

A1BFR

A1BFR
Name:	(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
Formula:	C10 H18 N2 O3
SMILES:	CN(C)C(=O)N1CCOCC21COCC2
InChi:	InChI=1S/C10H18N2O3/c1-11(2)9(13)12-4-6-15-8-10(12)3-5-14-7-10/h3-8H2,1-2H3/t10-/m0/s1
Definition date:	2024-11-04
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide

A1BFU

A1BFU
Name:	1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine
Formula:	C8 H16 N2 O3 S
SMILES:	O=S(=O)(N1CC(OC)C1)N1CCCC1
InChi:	InChI=1S/C8H16N2O3S/c1-13-8-6-10(7-8)14(11,12)9-4-2-3-5-9/h8H,2-7H2,1H3
Definition date:	2024-11-04
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine

A1BFV

A1BFV
Name:	(5-fluoro-3,6-dihydropyridin-1(2H)-yl)(morpholin-4-yl)methanone
Formula:	C10 H15 F N2 O2
SMILES:	O=C(N1CC(F)=CCC1)N1CCOCC1
InChi:	InChI=1S/C10H15FN2O2/c11-9-2-1-3-13(8-9)10(14)12-4-6-15-7-5-12/h2H,1,3-8H2
Definition date:	2024-11-04
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(5-fluoro-3,6-dihydropyridin-1(2H)-yl)(morpholin-4-yl)methanone

A1BFY

A1BFY
Name:	N-[(9S)-6-oxaspiro[4.5]decan-9-yl]methanesulfonamide
Formula:	C10 H19 N O3 S
SMILES:	CS(=O)(=O)NC1CC2(CCCC2)OCC1
InChi:	InChI=1S/C10H19NO3S/c1-15(12,13)11-9-4-7-14-10(8-9)5-2-3-6-10/h9,11H,2-8H2,1H3
Definition date:	2024-11-04
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	N-[(9S)-6-oxaspiro[4.5]decan-9-yl]methanesulfonamide

WTO

WTO
Name:	methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate
Formula:	C15 H20 N2 O5 S
SMILES:	CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)OC
InChi:	InChI=1S/C15H20N2O5S/c1-3-14(18)16-11-6-8-12(9-7-11)23(20,21)17-10-4-5-13(17)15(19)22-2/h6-9,13H,3-5,10H2,1-2H3,(H,16,18)/t13-/m0/s1
Definition date:	2023-05-18
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate

A1BFZ

A1BFZ
Name:	N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide
Formula:	C8 H15 N3 O2 S
SMILES:	Cn1ncc(C(C)NS(C)(=O)=O)c1C
InChi:	InChI=1S/C8H15N3O2S/c1-6(10-14(4,12)13)8-5-9-11(3)7(8)2/h5-6,10H,1-4H3
Definition date:	2024-11-04
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide

VOA

VOA
Name:	N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide
Formula:	C20 H19 Cl N4 O2
SMILES:	Clc1ccc(cn1)NC(=O)C(C)Nc1cc2c3CCOCc3cnc2cc1
InChi:	InChI=1S/C20H19ClN4O2/c1-12(20(26)25-15-3-5-19(21)23-10-15)24-14-2-4-18-17(8-14)16-6-7-27-11-13(16)9-22-18/h2-5,8-10,12,24H,6-7,11H2,1H3,(H,25,26)/t12-/m0/s1
Definition date:	2020-08-31
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide

A1D5V

A1D5V
Name:	(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-19-azanyl-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
Formula:	C34 H59 N O15
SMILES:	CCCC[CH](C)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C[CH](C)C[CH](O)CCCC[CH](O)C[CH](O)[CH](C)N)OC(=O)C[CH](CC(O)=O)C(O)=O
InChi:	InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1
Synonyms:	Fumonisin b1
Definition date:	2024-02-01
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-19-azanyl-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid

A1D74

A1D74
Name:	(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexacosanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
Formula:	C60 H109 N O16
SMILES:	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C[CH](O)CCCC[CH](O)C[CH](C)C[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C)CCCC
InChi:	InChI=1S/C60H109NO16/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36-53(65)61-46(5)51(64)43-50(63)35-32-31-34-49(62)37-44(3)38-52(76-56(70)41-47(59(72)73)39-54(66)67)58(45(4)33-9-7-2)77-57(71)42-48(60(74)75)40-55(68)69/h44-52,58,62-64H,6-43H2,1-5H3,(H,61,65)(H,66,67)(H,68,69)(H,72,73)(H,74,75)/t44-,45+,46-,47+,48+,49+,50+,51-,52-,58+/m0/s1
Definition date:	2024-04-29
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexacosanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid

A1IHW

A1IHW
Name:	4-[11-(4-cyanophenyl)-1,5-bis($l^{1}-oxidanyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile
Formula:	C19 H20 N4 O6 Ru2
SMILES:	C[CH]1O[Ru]2(O)O[CH](C)O[Ru](O)(O1)N(CN2c3ccc(cc3)C#N)c4ccc(cc4)C#N
InChi:	InChI=1S/C15H10N4.2C2H4O2.2H2O.2Ru/c16-9-12-1-5-14(6-2-12)18-11-19-15-7-3-13(10-17)4-8-15
Definition date:	2024-07-09
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	4-[11-(4-cyanophenyl)-3,7-dimethyl-1,5-bis(oxidanyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile

A1IJV

A1IJV
Name:	2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxylic acid
Formula:
SMILES:	COc1ccc(cc1OC)N2N=C(C(O)=O)C(=O)N(Cc3cccc(c3)C(F)(F)F)C2=O
InChi:	InChI=1S/C20H16F3N3O6/c1-31-14-7-6-13(9-15(14)32-2)26-19(30)25(17(27)16(24-26)18(28)29)10-11-4-3-5-12(8-11)20(21,22)23/h3-9H,10H2,1-2H3,(H,28,29)
Definition date:	2024-08-01
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxylic acid

A1ILQ

A1ILQ
Name:	(2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid
Formula:	C15 H18 N2 O3 S
SMILES:	N[CH](CNC(=O)C1=[SH]CC(=C1)Cc2ccccc2)C(O)=O
InChi:	InChI=1S/C15H18N2O3S/c16-12(15(19)20)8-17-14(18)13-7-11(9-21-13)6-10-4-2-1-3-5-10/h1-5,7,12,21H,6,8-9,16H2,(H,17,18)(H,19,20)/t12-/m1/s1
Definition date:	2024-08-19
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid

A1ILR

A1ILR
Name:	(2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid
Formula:	C8 H12 N2 O3 S
SMILES:	N[CH](CNC(=O)C1=[SH]CC=C1)C(O)=O
InChi:	InChI=1S/C8H12N2O3S/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-2,5,14H,3-4,9H2,(H,10,11)(H,12,13)/t5-/m1/s1
Definition date:	2024-08-19
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid

A1ITO

A1ITO
Name:	(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide
Formula:	C16 H12 Cl N O2
SMILES:	Clc1cccc(NC(=O)[CH]2CC(=O)c3ccccc23)c1
InChi:	InChI=1S/C16H12ClNO2/c17-10-4-3-5-11(8-10)18-16(20)14-9-15(19)13-7-2-1-6-12(13)14/h1-8,14H,9H2,(H,18,20)/t14-/m1/s1
Synonyms:	(1R)-N-(3-chlorophenyl)-3-oxo-indane-1-carboxamide
Definition date:	2024-11-08
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide

A1ITP

A1ITP
Name:	(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide
Formula:	C26 H21 Cl N2 O3
SMILES:	Clc1cccc(c1)N(C(=O)[CH]2CC(=O)c3ccccc23)c4ccc(cc4)N5CCCC5=O
InChi:	InChI=1S/C26H21ClN2O3/c27-17-5-3-6-20(15-17)29(19-12-10-18(11-13-19)28-14-4-9-25(28)31)26(32)23-16-24(30)22-8-2-1-7-21(22)23/h1-3,5-8,10-13,15,23H,4,9,14,16H2/t23-/m1/s1
Synonyms:	(1R)-N-(3-chlorophenyl)-3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]indane-1-carboxamide
Definition date:	2024-11-08
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide

A1ITV

A1ITV
Name:	(1~{R})-~{N}-[4-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]phenyl]-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide
Formula:	C26 H18 Cl N3 O4
SMILES:	Clc1cccc(c1)N(C(=O)[CH]2CC(=O)c3ccccc23)c4ccc(cc4)C5=CNC(=O)NC5=O
InChi:	InChI=1S/C26H18ClN3O4/c27-16-4-3-5-18(12-16)30(25(33)21-13-23(31)20-7-2-1-6-19(20)21)17-10-8-15(9-11-17)22-14-28-26(34)29-24(22)32/h1-12,14,21H,13H2,(H2,28,29,32,34)/t21-/m1/s1
Synonyms:	(1R)-N-(3-chlorophenyl)-N-[4-(2,4-dioxo-1H-pyrimidin-5-yl)phenyl]-3-oxo-indane-1-carboxamide
Definition date:	2024-11-12
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(1~{R})-~{N}-[4-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]phenyl]-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide

A1ITW

A1ITW
Name:	(3~{S})-3-[(3~{R})-3-phenylpiperidin-1-yl]carbonyl-2,3-dihydroinden-1-one
Formula:	C21 H21 N O2
SMILES:	O=C1C[CH](C(=O)N2CCC[CH](C2)c3ccccc3)c4ccccc14
InChi:	InChI=1S/C21H21NO2/c23-20-13-19(17-10-4-5-11-18(17)20)21(24)22-12-6-9-16(14-22)15-7-2-1-3-8-15/h1-5,7-8,10-11,16,19H,6,9,12-14H2/t16-,19-/m0/s1
Synonyms:	(3S)-3-[(3R)-3-phenylpiperidine-1-carbonyl]indan-1-one
Definition date:	2024-11-12
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(3~{S})-3-[(3~{R})-3-phenylpiperidin-1-yl]carbonyl-2,3-dihydroinden-1-one

A1L3Q

A1L3Q
Name:	CpY
Formula:	C17 H25 N O2
SMILES:	CCN(CC)[CH](CO)c1cccc2c(C)c(CC)oc12
InChi:	InChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3/t15-/m0/s1
Synonyms:	(2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol
Definition date:	2024-08-16
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol

A1L3Z

A1L3Z
Name:	(2~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]pyrrolidine-3,4-diol
Formula:	C6 H13 N O4
SMILES:	OC[CH](O)[CH]1NC[CH](O)[CH]1O
InChi:	InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4+,5-,6+/m0/s1
Definition date:	2024-08-22
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(2~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]pyrrolidine-3,4-diol

A1LWE

A1LWE
Name:	[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C11 H18 N5 O14 P3
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N
InChi:	InChI=1S/C11H18N5O14P3/c1-26-7-6(17)4(2-27-32(22,23)30-33(24,25)29-31(19,20)21)28-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
Definition date:	2024-01-15
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

A1LXY

A1LXY
Name:	~{N},~{N}-diethyl-4-(5-oxidanylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
Formula:	C24 H28 N2 O3
SMILES:	CCN(CC)C(=O)c1ccc(cc1)C2=CC3(CCNCC3)Oc4cccc(O)c24
InChi:	InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3
Definition date:	2024-02-06
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	~{N},~{N}-diethyl-4-(5-oxidanylspiro[chromene-2,4'-piperidine]-4-yl)benzamide

VU4

VU4
Name:	4-(2-aminoethyl)benzoic acid
Formula:	C9 H11 N O2
SMILES:	C(=O)(O)c1ccc(cc1)CCN
InChi:	InChI=1S/C9H11NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H,11,12)
Definition date:	2020-09-14
Last modified:	2024-11-19
Release date:	2021-10-06
Identifier:	4-(2-aminoethyl)benzoic acid

<65 66 67 68 69 70 717273 74 75 76 77 78 79 80 >

243083

PDB entries from 2025-10-15

PDB statistics

PDBj update info

Contact PDBj

numon