Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
A1D5P
A1D5P
Name:(2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid
Formula:C9 H11 N O4
SMILES:N[CH]([CH](O)c1ccc(O)cc1)C(O)=O
InChi:InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m1/s1
Synonyms:(betaS)-beta-hydroxy-D-tyrosine
Definition date:2024-01-26
Last modified:2024-09-27
Release date:2024-06-12
Identifier:(2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid
ZNH
ZNH
Name:PROTOPORPHYRIN IX CONTAINING ZN
Formula:C34 H32 N4 O4 Zn
SMILES:CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=C)C(=C(CCC(O)=O)C5=C2)C
InChi:InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:2001-03-01
Last modified:2024-09-27
FKD
FKD
Name:3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Formula:C9 H15 F O9
SMILES:O=C(O)C1(O)OC(C(O)C(O)C1F)C(O)C(O)CO
InChi:InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3-,4-,5-,6+,7-,9+/m1/s1
Synonyms:3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid
Definition date:2005-09-13
Last modified:2024-09-27
Identifier:3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
FL5
FL5
Name:12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium
Formula:C25 H31 N8
SMILES:CCn1nnc2c3ccc(cc3c4n(CC)nnc4c5ccc(cc5c12)N(C)C)[N+](C)(C)C
InChi:InChI=1S/C25H31N8/c1-8-31-24-20-14-16(30(3)4)10-12-18(20)22-25(32(9-2)29-26-22)21-15-17(33(5,6)7)11-13-19(21)23(24)27-28-31/h10-15H,8-9H2,1-7H3/q+1/b22-18+,23-19+,24-20+,25-21+
Definition date:2018-07-19
Last modified:2024-09-27
Release date:2019-07-31
FLA
FLA
Name:TRIFLUOROALANINE
Formula:C3 H4 F3 N O2
SMILES:FC(F)(F)C(N)C(=O)O
InChi:InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1
Definition date:1999-07-19
Last modified:2024-09-27
Identifier:3,3,3-trifluoro-D-alanine
FMA
FMA
Name:6-(3-TETRADECANOIC ACID) FLAVINE MONONUCLEOTIDE
Formula:C31 H47 N4 O11 P
SMILES:O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(c(c3N=C1C2=NC(=O)NC1=O)C(CC(=O)O)CCCCCCCCCCC)C)C
InChi:InChI=1S/C31H47N4O11P/c1-4-5-6-7-8-9-10-11-12-13-20(15-24(38)39)25-19(3)18(2)14-21-26(25)32-27-29(33-31(42)34-30(27)41)35(21)16-22(36)28(40)23(37)17-46-47(43,44)45/h14,20,22-23,28,36-37,40H,4-13,15-17H2,1-3H3,(H,38,39)(H,34,41,42)(H2,43,44,45)/t20-,22+,23-,28+/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:1-{6-[(1R)-1-(carboxymethyl)dodecyl]-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol
FMF
FMF
Name:2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride
Formula:C6 H10 F2 O4
SMILES:FC1C(O)C(O)C(OC1F)CO
InChi:InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6?/m1/s1
Synonyms:2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE
Definition date:2003-09-08
Last modified:2024-09-27
Identifier:2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride
FMN
FMN
Name:FLAVIN MONONUCLEOTIDE
Formula:C17 H21 N4 O9 P
SMILES:N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
InChi:InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
Synonyms:RIBOFLAVIN MONOPHOSPHATE
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol
YPC
YPC
Name:S-[(2S)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-N-pentadecanoyl-D-cysteine
Formula:C50 H95 N O7 S
SMILES:O=C(OC(CSCC(NC(=O)CCCCCCCCCCCCCC)C(=O)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCC
InChi:InChI=1S/C50H95NO7S/c1-4-7-10-13-16-19-22-24-26-29-31-34-37-40-48(53)57-42-45(58-49(54)41-38-35-32-28-21-18-15-12-9-6-3)43-59-44-46(50(55)56)51-47(52)39-36-33-30-27-25-23-20-17-14-11-8-5-2/h45-46H,4-44H2,1-3H3,(H,51,52)(H,55,56)/t45-,46+/m0/s1
Definition date:2021-04-09
Last modified:2024-09-27
Release date:2021-08-11
Identifier:S-[(2S)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-N-pentadecanoyl-D-cysteine
ZSL
ZSL
Name:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:C16 H23 N5 O13 P2 S
SMILES:Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3SCOC3C2O)C(O)C1O
InChi:InChI=1S/C16H23N5O13P2S/c17-13-8-14(19-3-18-13)21(4-20-8)15-11(24)9(22)6(32-15)1-30-35(25,26)34-36(27,28)31-2-7-10(23)12-16(33-7)37-5-29-12/h3-4,6-7,9-12,15-16,22-24H,1-2,5H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16-/m1/s1
Definition date:2023-03-29
Last modified:2024-09-27
Release date:2023-04-05
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)
ZAE
ZAE
Name:N-methyl-D-phenylalanine
Formula:C10 H13 N O2
SMILES:O=C(O)C(NC)Cc1ccccc1
InChi:InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1
Definition date:2009-02-06
Last modified:2024-09-27
Identifier:N-methyl-D-phenylalanine
ZAL
ZAL
Name:3-cyclohexyl-D-alanine
Formula:C9 H17 N O2
SMILES:O=C(O)C(N)CC1CCCCC1
InChi:InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1
Definition date:2009-01-26
Last modified:2024-09-27
Identifier:3-cyclohexyl-D-alanine
ZTG
ZTG
Name:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine
Formula:C18 H30 Cl N O4 Si
SMILES:Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O
InChi:InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17-/m1/s1
Definition date:2023-03-30
Last modified:2024-09-27
Release date:2023-06-21
Identifier:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine
ZUK
ZUK
Name:5-pyrimidin-2-yl-D-norvaline
Formula:C9 H13 N3 O2
SMILES:O=C(O)C(N)CCCc1ncccn1
InChi:InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1
Definition date:2009-07-31
Last modified:2024-09-27
Identifier:5-pyrimidin-2-yl-D-norvaline
ZDC
ZDC
Name:3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
Formula:C8 H14 O6
SMILES:O=C(O)CC1OC(C(O)C(O)C1O)C
InChi:InChI=1S/C8H14O6/c1-3-6(11)8(13)7(12)4(14-3)2-5(9)10/h3-4,6-8,11-13H,2H2,1H3,(H,9,10)/t3-,4-,6+,7+,8+/m0/s1
Definition date:2012-12-17
Last modified:2024-09-27
Release date:2016-02-10
Identifier:3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
YS7
YS7
Name:(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside
Formula:C27 H49 N6 O12 P
SMILES:O=P(O)(O)OCc1cnc(C)c(O)c1CNCC1CCC(N)C(O1)OC1C(O)C(OC2OCC(C)(O)C(NC)C2O)C(N)CC1N
InChi:InChI=1S/C27H49N6O12P/c1-12-19(34)15(13(7-33-12)10-42-46(38,39)40)9-32-8-14-4-5-16(28)25(43-14)44-22-17(29)6-18(30)23(20(22)35)45-26-21(36)24(31-3)27(2,37)11-41-26/h7,14,16-18,20-26,31-32,34-37H,4-6,8-11,28-30H2,1-3H3,(H2,38,39,40)/t14-,16+,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m0/s1
Definition date:2021-03-30
Last modified:2024-09-27
Release date:2021-09-22
Identifier:(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside
ZGE
ZGE
Name:5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
Formula:C12 H19 F N4 O7
SMILES:O=C(C)NC1C(N/C(N)=N)C(F)=C(OC1C(O)C(CO)O)C(O)=O
InChi:InChI=1S/C12H19FN4O7/c1-3(19)16-7-6(17-12(14)15)5(13)9(11(22)23)24-10(7)8(21)4(20)2-18/h4,6-8,10,18,20-21H,2H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t4-,6+,7-,8-,10-/m1/s1
Synonyms:(2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb oxylic acid
Definition date:2012-10-31
Last modified:2024-09-27
Release date:2013-05-01
Identifier:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
ZGL
ZGL
Name:D-alpha-glutamine
Formula:C5 H10 N2 O3
SMILES:O=C(N)C(N)CCC(=O)O
InChi:InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1
Synonyms:Iso-D-glutamine
Definition date:2011-10-27
Last modified:2024-09-27
Identifier:D-alpha-glutamine
FSI
FSI
Name:5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Formula:C11 H18 F N O9
SMILES:O=C(O)C1(O)OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO
InChi:InChI=1S/C11H18FNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18,21H,2H2,1H3,(H,13,15)(H,19,20)/t4-,5-,6-,7-,8-,9-,11+/m1/s1
Synonyms:5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Definition date:2004-01-19
Last modified:2024-09-27
Identifier:5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
NWJ
NWJ
Name:2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:C18 H16 N6 O
SMILES:O=Cc1cccc(c1)c3c(C#N)c2c(nc(nc2n3)N)N4CCCC4
InChi:InChI=1S/C18H16N6O/c19-9-13-14-16(21-15(13)12-5-3-4-11(8-12)10-25)22-18(20)23-17(14)24-6-1-2-7-24/h3-5,8,10H,1-2,6-7H2,(H3,20,21,22,23)
Definition date:2014-01-15
Last modified:2024-09-27
Release date:2015-01-21
Identifier:2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
N
N
Name:ANY 5'-MONOPHOSPHATE NUCLEOTIDE
Formula:C5 H11 O7 P
SMILES:O=P(OCC1OCC(O)C1O)(O)O
InChi:InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1
Synonyms:1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
Definition date:1999-07-13
Last modified:2024-09-27
Identifier:1,4-anhydro-5-O-phosphono-D-ribitol
O10
O10
Name:(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
Formula:C10 H5 Br Cl N5
SMILES:Brc1cnc(Cl)nc1n1ccc2ncncc21
InChi:InChI=1S/C10H5BrClN5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
Definition date:2022-04-15
Last modified:2024-09-27
Release date:2022-07-06
Identifier:(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
O1K
O1K
Name:(5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
Formula:C10 H5 Cl2 N5
SMILES:Clc1cnc(Cl)nc1n1ccc2ncncc21
InChi:InChI=1S/C10H5Cl2N5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
Definition date:2022-04-15
Last modified:2024-09-27
Release date:2022-07-06
Identifier:(5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
O1R
O1R
Name:(2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile
Formula:C12 H6 Cl N5
SMILES:N#Cc1ccc(Cl)nc1n1ccc2ncncc21
InChi:InChI=1S/C12H6ClN5/c13-11-2-1-8(5-14)12(17-11)18-4-3-9-10(18)6-15-7-16-9/h1-4,6-7H
Definition date:2022-04-15
Last modified:2024-09-27
Release date:2022-07-06
Identifier:(2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile
A1APR
A1APR
Name:(9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one
Formula:C23 H23 F N8 O
SMILES:Cc1c(N)cncc1c1cc2cc(ncc2c(N)c1F)Nc1cc2CCN(C)C(=O)Cn2n1
InChi:InChI=1S/C23H23FN8O/c1-12-16(8-27-10-18(12)25)15-5-13-6-19(28-9-17(13)23(26)22(15)24)29-20-7-14-3-4-31(2)21(33)11-32(14)30-20/h5-10H,3-4,11,25-26H2,1-2H3,(H,28,29,30)
Definition date:2024-04-25
Last modified:2024-09-27
Release date:2024-10-02
Identifier:(9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one

238582

数据于2025-07-09公开中

PDB statisticsPDBj update infoContact PDBjnumon