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K5L
K5L
Name:(2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
Formula:C6 H9 N O6
SMILES:N[CH](COC(=O)CC(O)=O)C(O)=O
InChi:InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m1/s1
Definition date:2017-01-25
Last modified:2024-10-02
Release date:2018-01-24
Identifier:(2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
SFD
SFD
Name:(S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID
Formula:C27 H35 N9 O18 P2 S
SMILES:O=S(=O)(O)N2c1cc(c(cc1N(C3=NC(=O)NC(=O)C23)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
InChi:InChI=1S/C27H35N9O18P2S/c1-10-3-12-13(4-11(10)2)36(57(48,49)50)18-24(32-27(43)33-25(18)42)34(12)5-14(37)19(39)15(38)6-51-55(44,45)54-56(46,47)52-7-16-20(40)21(41)26(53-16)35-9-31-17-22(28)29-8-30-23(17)35/h3-4,8-9,14-16,18-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,33,42,43)(H,48,49,50)/t14-,15+,16+,18-,19-,20+,21+,26+/m0/s1
Synonyms:N5-SULFONO FLAVIN-ADENINE DINUCLEOTIDE
Definition date:2006-01-11
Last modified:2024-09-27
Identifier:(4aS)-10-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-2,4,4a,10-tetrahydrobenzo[g]pteridine-5(3H)-sulfonic acid (non-preferred name)
ALS
ALS
Name:(3S)-3-(sulfooxy)-L-serine
Formula:C3 H7 N O7 S
SMILES:C(C(C(OS(O)(=O)=O)O)N)(O)=O
InChi:InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(3S)-3-(sulfooxy)-L-serine
UT8
UT8
Name:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula:C16 H15 N O5 S
SMILES:COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3
Definition date:2021-03-17
Last modified:2024-09-27
Release date:2021-06-09
Identifier:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
YJI
YJI
Name:N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide
Formula:C13 H27 N2 O8 P S
SMILES:O=C(NCCSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:InChI=1S/C13H27N2O8PS/c1-13(2,9-23-24(20,21)22)11(18)12(19)15-4-3-10(17)14-5-7-25-8-6-16/h11,16,18H,3-9H2,1-2H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1
Definition date:2023-02-08
Last modified:2024-09-27
Release date:2023-06-14
Identifier:N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide
ALT
ALT
Name:THIOALANINE
Formula:C3 H7 N O S
SMILES:S=C(O)C(N)C
InChi:InChI=1S/C3H7NOS/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2S)-2-aminopropanethioic O-acid
SFE
SFE
Name:(3S)-3-amino-3-phenylpropanoic acid
Formula:C9 H11 N O2
SMILES:O=C(O)CC(N)c1ccccc1
InChi:InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
Synonyms:S-BETA-PHENYLALANINE
Definition date:2011-05-30
Last modified:2024-09-27
Identifier:(3S)-3-amino-3-phenylpropanoic acid
YX7
YX7
Name:[(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid
Formula:C9 H19 B N2 O4
SMILES:O=C(NC(CC(N)=O)B(O)O)CCCCC
InChi:InChI=1S/C9H19BN2O4/c1-2-3-4-5-9(14)12-7(10(15)16)6-8(11)13/h7,15-16H,2-6H2,1H3,(H2,11,13)(H,12,14)/t7-/m1/s1
Definition date:2021-04-05
Last modified:2024-09-27
Release date:2022-09-28
Identifier:[(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid
X04
X04
Name:(2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:C8 H11 N2 O6 P
SMILES:O=Cc1c(O)c(nc(N)c1COP(=O)(O)O)C
InChi:InChI=1S/C8H11N2O6P/c1-4-7(12)5(2-11)6(8(9)10-4)3-16-17(13,14)15/h2,12H,3H2,1H3,(H2,9,10)(H2,13,14,15)
Synonyms:6-AMINO-PYRIDOXAL-5'-PHOSPHATE
Definition date:2003-10-27
Last modified:2024-09-27
Identifier:(2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
V9M
V9M
Name:(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
Formula:C15 H32 N O2
SMILES:C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O
InChi:InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1
Definition date:2020-07-21
Last modified:2024-09-27
Release date:2020-09-16
Identifier:(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
T8P
T8P
Name:1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Formula:C13 H18 N2 O2
SMILES:N2(CCN(c1ccc(cc1)OC)CC2)C(=O)C
InChi:InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Y5S
Y5S
Name:(1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C24 H41 N3 O8 S
SMILES:CC(CC(C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)NC(OCC3CC2CCCC(C2)C3)=O)C
InChi:InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1
Definition date:2021-02-04
Last modified:2024-09-27
Release date:2021-02-17
Identifier:(1S,2S)-2-{[N-({[(3-endo)-bicyclo[3.3.1]nonan-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
R7A
R7A
Name:S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Formula:C10 H17 Br N O3 S2
SMILES:BrC1=C(C(N(O)C1(C)C)(C)C)CSS(=O)(=O)C
InChi:InChI=1S/C10H18BrNO3S2/c1-9(2)7(6-16-17(5,14)15)8(11)10(3,4)12(9)13/h13H,6H2,1-5H3
Definition date:2005-07-19
Last modified:2024-09-27
Identifier:S-[(4-bromo-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
ZL7
ZL7
Name:(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)
Formula:C23 H31 F4 N3 O5 S
SMILES:OC(C(CC)NC(=O)C(CS(=O)(=O)CC1CC1)NC(c1ccc(F)cc1)C(F)(F)F)C(=O)NC1CC1
InChi:InChI=1S/C23H31F4N3O5S/c1-2-17(19(31)22(33)28-16-9-10-16)30-21(32)18(12-36(34,35)11-13-3-4-13)29-20(23(25,26)27)14-5-7-15(24)8-6-14/h5-8,13,16-20,29,31H,2-4,9-12H2,1H3,(H,28,33)(H,30,32)/t17-,18-,19+,20-/m0/s1
Definition date:2021-05-04
Last modified:2024-09-27
Release date:2021-05-12
Identifier:(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)
ALV
ALV
Name:(2S)-2-aminopropane-1,1-diol
Formula:C3 H9 N O2
SMILES:OC(O)C(N)C
InChi:InChI=1S/C3H9NO2/c1-2(4)3(5)6/h2-3,5-6H,4H2,1H3/t2-/m0/s1
Definition date:2010-10-07
Last modified:2024-09-27
Identifier:(2S)-2-aminopropane-1,1-diol
Y5T
Y5T
Name:2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide
Formula:C13 H10 Cl N3 O3
SMILES:Cc1cc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)ccn1
InChi:InChI=1S/C13H10ClN3O3/c1-8-6-9(4-5-15-8)16-13(18)11-7-10(17(19)20)2-3-12(11)14/h2-7H,1H3,(H,15,16,18)
Definition date:2023-01-05
Last modified:2024-09-27
Release date:2024-04-17
Identifier:2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide
QT4
QT4
Name:~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide
Formula:C14 H17 B F2 N3 O
SMILES:CC(=O)NCc1ccc2Cc3n(c(C)cc3C)[B](F)(F)n12
InChi:InChI=1S/C14H17BF2N3O/c1-9-6-10(2)19-14(9)7-12-4-5-13(8-18-11(3)21)20(12)15(19,16)17/h4-6H,7-8H2,1-3H3,(H,18,21)
Definition date:2019-12-17
Last modified:2024-09-27
Release date:2020-05-06
Identifier:~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide
VOD
VOD
Name:(4-VINYLPHENYL)METHANESULFONIC ACID
Formula:C9 H10 O3 S
SMILES:O=S(=O)(O)Cc1ccc(cc1)C=C
InChi:InChI=1S/C9H10O3S/c1-2-8-3-5-9(6-4-8)7-13(10,11)12/h2-6H,1,7H2,(H,10,11,12)
Definition date:2014-05-09
Last modified:2024-09-27
Release date:2015-10-07
Identifier:(4-ethenylphenyl)methanesulfonic acid
S08
S08
Name:2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
Formula:C18 H17 B N2 O6
SMILES:NC(=O)[CH](NC(=O)c1ccc2[CH](CC(O)=O)OB(O)c2c1)c3ccccc3
InChi:InChI=1S/C18H17BN2O6/c20-17(24)16(10-4-2-1-3-5-10)21-18(25)11-6-7-12-13(8-11)19(26)27-14(12)9-15(22)23/h1-8,14,16,26H,9H2,(H2,20,24)(H,21,25)(H,22,23)/t14-,16+/m0/s1
Synonyms:2-[(3S)-6-[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid
Definition date:2020-11-04
Last modified:2024-09-27
Release date:2021-08-11
Identifier:2-[(3~{S})-6-[[(1~{R})-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid
716
716
Name:2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE
Formula:C22 H27 Cl N6 O4 S
SMILES:O=C(c1nccs1)C(NC(=O)C(NC(=O)C(=O)c2cccc(Cl)c2)C(C)C)CCCNC(=[N@H])N
InChi:InChI=1S/C22H27ClN6O4S/c1-12(2)16(29-20(33)17(30)13-5-3-6-14(23)11-13)19(32)28-15(7-4-8-27-22(24)25)18(31)21-26-9-10-34-21/h3,5-6,9-12,15-16H,4,7-8H2,1-2H3,(H,28,32)(H,29,33)(H4,24,25,27)/t15-,16-/m0/s1
Definition date:2005-05-18
Last modified:2024-09-27
Identifier:N-[(1S)-1-{[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]carbamoyl}-2-methylpropyl]-2-(3-chlorophenyl)-2-oxoacetamide
T8S
T8S
Name:1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide
Formula:C12 H22 N2 O2
SMILES:N1(CCC(C(N(C(C)C)C)=O)CC1)C(=O)C
InChi:InChI=1S/C12H22N2O2/c1-9(2)13(4)12(16)11-5-7-14(8-6-11)10(3)15/h9,11H,5-8H2,1-4H3
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide
R7D
R7D
Name:N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide
Formula:C18 H18 F3 N3 O3 S
SMILES:SCC(C(NCc1ncccc1)=O)NC(C(c2ccc(cc2)C(F)(F)F)O)=O
InChi:InChI=1S/C18H18F3N3O3S/c19-18(20,21)12-6-4-11(5-7-12)15(25)17(27)24-14(10-28)16(26)23-9-13-3-1-2-8-22-13/h1-8,14-15,25,28H,9-10H2,(H,23,26)(H,24,27)/t14-,15+/m0/s1
Definition date:2020-02-04
Last modified:2024-09-27
Release date:2020-08-05
Identifier:N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide
ALY
ALY
Name:N(6)-ACETYLLYSINE
Formula:C8 H16 N2 O3
SMILES:O=C(NCCCCC(N)C(=O)O)C
InChi:InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
Definition date:2000-08-18
Last modified:2024-09-27
Identifier:N~6~-acetyl-L-lysine
XDV
XDV
Name:2-[2-(2-aminoethoxy)ethoxy]acetamide
Formula:C6 H14 N2 O3
SMILES:NC(COCCOCCN)=O
InChi:InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9)
Definition date:2020-12-11
Last modified:2024-09-27
Release date:2020-12-23
Identifier:2-[2-(2-aminoethoxy)ethoxy]acetamide
Y5X
Y5X
Name:2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide
Formula:C12 H7 Cl F N3 O3
SMILES:O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([O-])=O
InChi:InChI=1S/C12H7ClFN3O3/c13-11-2-1-9(17(19)20)4-10(11)12(18)16-8-3-7(14)5-15-6-8/h1-6H,(H,16,18)
Definition date:2023-01-05
Last modified:2024-09-27
Release date:2024-04-17
Identifier:2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide

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數據於2025-01-08公開中

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