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OK9

OK9
Name:	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
Formula:	C16 H16 N2 O3 S2
SMILES:	O=CC(NC(=O)c1cccs1)=Cc1ccc(s1)N1CCOCC1
InChi:	InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10-
Definition date:	2023-08-17
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide

SME

SME
Name:	METHIONINE SULFOXIDE
Formula:	C5 H11 N O3 S
SMILES:	O=C(O)C(N)CCS(=O)C
InChi:	InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-[(R)-methylsulfinyl]butanoic acid

YN3

YN3
Name:	~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
Formula:	C28 H35 N7 O3
SMILES:	CCC(=O)Nc1ccc(cc1)C(=O)Nc2n[nH]c3c2CN(C(=O)N[CH](CN(C)C)c4ccccc4)C3(C)C
InChi:	InChI=1S/C28H35N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h7-15,22H,6,16-17H2,1-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1
Definition date:	2023-12-06
Last modified:	2024-09-27
Release date:	2024-05-29
Identifier:	~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

Y9Z

Y9Z
Name:	5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
Formula:	C14 H22 N6 O12 P2
SMILES:	O=P(OCCNC(=O)C)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:	InChI=1S/C14H22N6O12P2/c1-6(21)16-2-3-29-33(25,26)32-34(27,28)30-4-7-9(22)10(23)13(31-7)20-5-17-8-11(20)18-14(15)19-12(8)24/h5,7,9-10,13,22-23H,2-4H2,1H3,(H,16,21)(H,25,26)(H,27,28)(H3,15,18,19,24)/t7-,9-,10-,13-/m1/s1
Definition date:	2013-12-27
Last modified:	2024-09-27
Release date:	2014-06-04
Identifier:	5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine

SMF

SMF
Name:	4-SULFOMETHYL-L-PHENYLALANINE
Formula:	C10 H13 N O5 S
SMILES:	O=S(=O)(O)Cc1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C10H13NO5S/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16)/t9-/m0/s1
Definition date:	2003-03-18
Last modified:	2024-09-27
Identifier:	4-(sulfomethyl)-L-phenylalanine

PS9

PS9
Name:	octathiocane
Formula:	S8
SMILES:	S1SSSSSSS1
InChi:	InChI=1S/S8/c1-2-4-6-8-7-5-3-1
Definition date:	2009-04-17
Last modified:	2024-09-27
Identifier:	octathiocane

PSA

PSA
Name:	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
Formula:	C11 H15 N O3
SMILES:	O=C(O)CC(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-amino-2,4,5-trideoxy-5-phenyl-L-threo-pentonic acid

Z50

Z50
Name:	3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid
Formula:	C16 H22 N4 O2 S2
SMILES:	Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2
InChi:	InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22)
Synonyms:	3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid
Definition date:	2024-01-22
Last modified:	2024-09-27
Release date:	2024-04-24
Identifier:	3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid

M3L

M3L
Name:	N-TRIMETHYLLYSINE
Formula:	C9 H21 N2 O2
SMILES:	O=C(O)C(N)CCCC[N+](C)(C)C
InChi:	InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium

UM2

UM2
Name:	(2S)-2-amino-N-butyl-propanamide
Formula:	C7 H16 N2 O
SMILES:	O=C(NCCCC)C(N)C
InChi:	InChI=1S/C7H16N2O/c1-3-4-5-9-7(10)6(2)8/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1
Synonyms:	N-butyl-L-alaninamide
Definition date:	2009-03-24
Last modified:	2024-09-27
Identifier:	N-butyl-L-alaninamide

YA4

YA4
Name:	[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid
Formula:	C5 H11 O6 P S
SMILES:	O[CH]1CO[CH](CO[P](O)(S)=O)[CH]1O
InChi:	InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1
Definition date:	2021-02-12
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

YA5

YA5
Name:	(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:	C16 H10 F N O6 S
SMILES:	FS(=O)(=O)Oc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O
InChi:	InChI=1S/C16H10FNO6S/c17-25(22,23)24-13-7-2-1-4-9(13)10-5-3-6-11-14(10)18-8-12(15(11)19)16(20)21/h1-8H,(H,18,19)(H,20,21)
Definition date:	2023-11-28
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

SMM

SMM
Name:	S-ADENOSYLMETHIONINE METHYL ESTER
Formula:	C16 H26 N6 O5 S
SMILES:	O=C(OC)C(N)CCS(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C16H26N6O5S/c1-26-16(25)8(17)3-4-28(2)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24,28H,3-5,17H2,1-2H3,(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2001-03-13
Last modified:	2024-09-27
Identifier:	5'-[(S)-[(3S)-3-amino-4-methoxy-4-oxobutyl](methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine

XHZ

XHZ
Name:	6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
Formula:	C13 H8 O2
SMILES:	C#Cc1cc2ccc(O)c(C=O)c2cc1
InChi:	InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H
Definition date:	2023-06-06
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde

ZPN

ZPN
Name:	(2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide
Formula:	C29 H39 N O6
SMILES:	O=C(/C=CC=CC)NC(O)C1OC(=O)C=CC=C(CC(=O)CCCC2OC(C=C(C)C1)CC(=C)/C2)C
InChi:	InChI=1S/C29H39NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-8,10,13-14,18,24-26,29,34H,3,9,11-12,15-17,19H2,1-2,4H3,(H,30,32)/b6-5+,13-7-,14-8+,20-10-,22-18+/t24-,25-,26-,29-/m0/s1
Synonyms:	(-)-ZAMPANOLIDE (Bound form)
Definition date:	2012-12-20
Last modified:	2024-09-27
Release date:	2013-01-18
Identifier:	(2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide

KWS

KWS
Name:	{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C9 H13 N3 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=C
InChi:	InChI=1S/C9H13N3O4/c1-4-9(16)12(3-6(14)15)8(11-4)7(10)5(2)13/h5,7,13H,1,3,10H2,2H3,(H,14,15)/t5-,7+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2011-11-18
Last modified:	2024-09-27
Identifier:	{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

ZPO

ZPO
Name:	pyrazolidine-1-carboxylic acid
Formula:	C4 H8 N2 O2
SMILES:	N1CCCN1C(O)=O
InChi:	InChI=1S/C4H8N2O2/c7-4(8)6-3-1-2-5-6/h5H,1-3H2,(H,7,8)
Definition date:	2018-08-22
Last modified:	2024-09-27
Release date:	2019-07-03
Identifier:	pyrazolidine-1-carboxylic acid

PSH

PSH
Name:	1-thiophosphono-L-histidine
Formula:	C6 H10 N3 O4 P S
SMILES:	O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O
InChi:	InChI=1S/C6H10N3O4PS/c7-5(6(10)11)1-4-2-9(3-8-4)14(12,13)15/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,15)/t5-/m0/s1
Definition date:	2007-09-28
Last modified:	2024-09-27
Identifier:	1-thiophosphono-L-histidine

KWT

KWT
Name:	(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE
Formula:	C23 H24 O8
SMILES:	O=C3c2occ1C(=O)OC(C(c12)(C5=C3C4C(C(=O)CC4)(C)CC5OC(=O)C)C)COC
InChi:	InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
Synonyms:	[1S-(1A,6BA,9AB,11A,11BB)]-11-(ACETYLOXY)-1,6B,7,8,9A,10,11,11B-OCTAHYDRO-1-(METHOXYMETHLY) -9A,11B-DIMETHYL-3H-FURO[4,3,2-DE]INDENL[4,5-H]-2-BENZOPYRAN-3,6,9,TRIONE
Definition date:	2000-09-11
Last modified:	2024-09-27
Identifier:	(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate

U8W

U8W
Name:	(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid
Formula:	C6 H15 O11 P S
SMILES:	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O
InChi:	InChI=1S/C6H15O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t3-,4+,5+,6+/m0/s1
Definition date:	2021-02-03
Last modified:	2024-09-27
Release date:	2021-04-14
Identifier:	(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid

4G6

4G6
Name:	2-methylpropane-1,2-diamine
Formula:	C4 H12 N2
SMILES:	CC(C)(N)CN
InChi:	InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
Definition date:	2015-08-04
Last modified:	2024-09-27
Release date:	2015-10-28
Identifier:	2-methylpropane-1,2-diamine

VU1

VU1
Name:	4-[(piperidin-1-yl)methyl]benzoic acid
Formula:	C13 H17 N O2
SMILES:	C2CCCN(Cc1ccc(C(O)=O)cc1)C2
InChi:	InChI=1S/C13H17NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)
Definition date:	2020-09-14
Last modified:	2024-09-27
Release date:	2021-10-06
Identifier:	4-[(piperidin-1-yl)methyl]benzoic acid

O56

O56
Name:	1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one
Formula:	C19 H26 Cl F3 N2 O2 S2
SMILES:	CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2ccc(Cl)c(c2)C(F)(F)F
InChi:	InChI=1S/C19H26ClF3N2O2S2/c1-24(2)10-12-29-28-11-5-17(26)25-8-6-18(27,7-9-25)14-3-4-16(20)15(13-14)19(21,22)23/h3-4,13,27H,5-12H2,1-2H3
Definition date:	2022-08-30
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one

ZPR

ZPR
Name:	N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL
Formula:	C18 H22 N2 O4
SMILES:	O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3
InChi:	InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
Synonyms:	Z-PRO-PROLINAL
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	benzyl (2S)-2-{[(2S)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate

MIJ

MIJ
Name:	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide
Formula:	C28 H35 N5 O6
SMILES:	CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Cc4ccccc4)C3=O
InChi:	InChI=1S/C28H35N5O6/c1-29-27(38)24(35)21(16-19-11-12-30-25(19)36)32-26(37)22(14-18-9-10-18)33-13-5-8-20(28(33)39)31-23(34)15-17-6-3-2-4-7-17/h2-8,13,18-19,21-22,24,35H,9-12,14-16H2,1H3,(H,29,38)(H,30,36)(H,31,34)(H,32,37)/t19-,21-,22-,24+/m0/s1
Definition date:	2022-07-27
Last modified:	2024-09-27
Release date:	2023-08-16
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide

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