Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PSX
PSX
Name:[(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHEXYL]PHOSPHONIC ACID
Formula:C7 H17 O5 P
SMILES:O=P(O)(O)CC(O)C(C(O)CC)C
InChi:InChI=1S/C7H17O5P/c1-3-6(8)5(2)7(9)4-13(10,11)12/h5-9H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6+,7-/m1/s1
Definition date:2006-06-06
Last modified:2024-09-27
Identifier:[(2S,3R,4S)-2,4-dihydroxy-3-methylhexyl]phosphonic acid
PSY
PSY
Name:phenyl ethenesulfonate
Formula:C8 H8 O3 S
SMILES:O=S(=O)(Oc1ccccc1)C=C
InChi:InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
Definition date:2007-12-14
Last modified:2024-09-27
Identifier:phenyl ethenesulfonate
6BH
6BH
Name:N-[3-(benzyloxy)phenyl]-3-nitrobenzamide
Formula:C20 H16 N2 O4
SMILES:O=[N+]([O-])c1cccc(c1)C(=O)Nc2cccc(c2)OCc3ccccc3
InChi:InChI=1S/C20H16N2O4/c23-20(16-8-4-10-18(12-16)22(24)25)21-17-9-5-11-19(13-17)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,21,23)
Definition date:2015-09-24
Last modified:2024-09-27
Release date:2016-09-21
Identifier:N-[3-(benzyloxy)phenyl]-3-nitrobenzamide
6BI
6BI
Name:[(2~{R},3~{S},4~{R},5~{R})-5-[6-(ethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:C18 H28 Cl N6 O8 P
SMILES:O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(NCCCCCCNC(=O)CCl)ncnc23
InChi:InChI=1S/C18H28ClN6O8P/c19-7-12(26)20-5-3-1-2-4-6-21-16-13-17(23-9-22-16)25(10-24-13)18-15(28)14(27)11(33-18)8-32-34(29,30)31/h9-11,14-15,18,27-28H,1-8H2,(H,20,26)(H,21,22,23)(H2,29,30,31)/t11-,14-,15-,18-/m1/s1
Definition date:2021-07-26
Last modified:2024-09-27
Release date:2022-06-01
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[6-[6-(2-chloranylethanoylamino)hexylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
6BR
6BR
Name:threoninevanadate
Formula:C4 H8 N O7 V
SMILES:NC(C(O[V]([O-])(=O)([O-])[O-])C)C(O)=O
InChi:InChI=1S/C4H8NO3.4O.V/c1-2(6)3(5)4(7)8
Definition date:2016-03-03
Last modified:2024-09-27
Release date:2016-06-15
Identifier:trioxido(oxo)(L-threoninato-kappaO~3~)vanadate(3-)
PTD
PTD
Name:PENTANEDIAL
Formula:C5 H8 O2
SMILES:O=CCCCC=O
InChi:InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
Definition date:2000-07-12
Last modified:2024-09-27
Identifier:pentanedial
PTG
PTG
Name:(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
Formula:C20 H28 O3
SMILES:O=C1C=CC(C/1=CC=CCCCCC)C/C=C/CCCC(=O)O
InChi:InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7+,10-6+,18-13-/t17-/m0/s1
Synonyms:15-deoxy-delta(12,14)-prostaglandin J2
Definition date:2008-03-16
Last modified:2024-09-27
Identifier:(5E,12Z,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
PTH
PTH
Name:CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE
Formula:C10 H14 N O7 P
SMILES:O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O
InChi:InChI=1S/C10H14NO7P/c11-8(10(13)14)4-6-1-2-9(7(3-6)5-12)18-19(15,16)17/h1-3,8,12H,4-5,11H2,(H,13,14)(H2,15,16,17)/t8-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:3-(hydroxymethyl)-O-phosphono-L-tyrosine
6C1
6C1
Name:{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid
Formula:C13 H12 B Cl O3
SMILES:c1(c(cccc1)OCc2cccc(Cl)c2)B(O)O
InChi:InChI=1S/C13H12BClO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8,16-17H,9H2
Definition date:2016-03-08
Last modified:2024-09-27
Release date:2017-03-15
Identifier:{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid
PTL
PTL
Name:PENTANAL
Formula:C5 H10 O
SMILES:O=CCCCC
InChi:InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:pentanal
PTM
PTM
Name:ALPHA-METHYL-O-PHOSPHOTYROSINE
Formula:C10 H14 N O6 P
SMILES:O=P(Oc1ccc(cc1)CC(C(=O)O)(N)C)(O)O
InChi:InChI=1S/C10H14NO6P/c1-10(11,9(12)13)6-7-2-4-8(5-3-7)17-18(14,15)16/h2-5H,6,11H2,1H3,(H,12,13)(H2,14,15,16)/t10-/m0/s1
Definition date:2001-09-19
Last modified:2024-09-27
Identifier:alpha-methyl-O-phosphono-L-tyrosine
PTR
PTR
Name:O-PHOSPHOTYROSINE
Formula:C9 H12 N O6 P
SMILES:O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O
InChi:InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
Synonyms:PHOSPHONOTYROSINE
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:O-phosphono-L-tyrosine
PTX
PTX
Name:{[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID
Formula:C7 H11 N4 O5 P S
SMILES:O=P(O)(O)CNC(=O)C(=NOC)/c1nc(sc1)N
InChi:InChI=1S/C7H11N4O5PS/c1-16-11-5(4-2-18-7(8)10-4)6(12)9-3-17(13,14)15/h2H,3H2,1H3,(H2,8,10)(H,9,12)(H2,13,14,15)/b11-5-
Definition date:2003-11-24
Last modified:2024-09-27
Identifier:({[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)phosphonic acid
6CG
6CG
Name:5'-S-phosphono-5'-thioguanosine
Formula:C10 H14 N5 O7 P S
SMILES:C=2(Nc1n(cnc1C(N=2)=O)C3C(C(C(CSP(O)(O)=O)O3)O)O)N
InChi:InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-24-23(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Synonyms:TrpGMPS hydrolysis product
Definition date:2016-03-10
Last modified:2024-09-27
Release date:2017-03-15
Identifier:5'-S-phosphono-5'-thioguanosine
PTY
PTY
Name:PHOSPHATIDYLETHANOLAMINE
Formula:C40 H80 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC
InChi:InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
Definition date:2002-04-01
Last modified:2024-09-27
Identifier:(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl icosanoate
6CL
6CL
Name:6-CARBOXYLYSINE
Formula:C7 H15 N2 O4
SMILES:O=C(O)C(CCCC(N)C(=O)O)[NH3+]
InChi:InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/p+1/t4-,5+
Definition date:2005-08-08
Last modified:2024-09-27
Identifier:(1R,5S)-5-amino-1,5-dicarboxypentan-1-aminium
6CN
6CN
Name:6-cyanouridine 5'-phosphate
Formula:C10 H12 N3 O9 P
SMILES:N#CC=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
Definition date:2008-10-23
Last modified:2024-09-27
Identifier:6-cyanouridine 5'-(dihydrogen phosphate)
6CV
6CV
Name:3-bromo-L-phenylalanine
Formula:C9 H10 Br N O2
SMILES:Brc1cccc(CC(N)C(O)=O)c1
InChi:InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:2016-03-15
Last modified:2024-09-27
Release date:2016-10-26
Identifier:3-bromo-L-phenylalanine
PUB
PUB
Name:PHYCOUROBILIN
Formula:C33 H42 N4 O6
SMILES:CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27+/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2R)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoic acid
6CW
6CW
Name:6-CHLORO-L-TRYPTOPHAN
Formula:C11 H11 Cl N2 O2
SMILES:O=C(O)C(N)Cc2c1ccc(Cl)cc1nc2
InChi:InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
Definition date:2005-09-22
Last modified:2024-09-27
Identifier:6-chloro-L-tryptophan
PUK
PUK
Name:N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine
Formula:C18 H22 N2 O2
SMILES:O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1
Definition date:2009-02-06
Last modified:2024-09-27
Identifier:N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine
6D6
6D6
Name:5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
Formula:C17 H28 N8 O5
SMILES:C(CCN(CCC(C(O)=O)N)CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O)N
InChi:InChI=1S/C17H28N8O5/c18-3-1-4-24(5-2-9(19)17(28)29)6-10-12(26)13(27)16(30-10)25-8-23-11-14(20)21-7-22-15(11)25/h7-10,12-13,16,26-27H,1-6,18-19H2,(H,28,29)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1
Definition date:2016-03-16
Last modified:2024-09-27
Release date:2017-03-15
Identifier:5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
PUO
PUO
Name:1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
Formula:C24 H24 Cl F N2 O3
SMILES:CCC(=O)N1CCN2Cc3cc(C#CC)c(c(F)c3OC[CH]2C1)c4c(O)cccc4Cl
InChi:InChI=1S/C24H24ClFN2O3/c1-3-6-15-11-16-12-27-9-10-28(20(30)4-2)13-17(27)14-31-24(16)23(26)21(15)22-18(25)7-5-8-19(22)29/h5,7-8,11,17,29H,4,9-10,12-14H2,1-2H3/t17-/m1/s1
Definition date:2022-10-04
Last modified:2024-09-27
Release date:2023-07-12
Identifier:1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
6DN
6DN
Name:(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
Formula:C8 H16 N2 O4
SMILES:N[CH](CCCCNCC(O)=O)C(O)=O
InChi:InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1
Definition date:2016-03-30
Last modified:2024-09-27
Release date:2017-10-11
Identifier:(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
6DU
6DU
Name:2-bromo-L-phenylalanine
Formula:C9 H10 Br N O2
SMILES:O=C(C(N)Cc1c(Br)cccc1)O
InChi:InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:2016-03-17
Last modified:2024-09-27
Release date:2016-10-26
Identifier:2-bromo-L-phenylalanine

225946

数据于2024-10-09公开中

PDB statisticsPDBj update infoContact PDBjnumon