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
SE
SE
Name:SELENIUM ATOM
Formula:Se
SMILES:[Se]
InChi:InChI=1S/H2Se/h1H2
Definition date:2000-08-08
Last modified:2024-09-27
Identifier:hydrogen selenide
ORX
ORX
Name:N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE
Formula:C13 H22 N3 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN
InChi:InChI=1S/C13H22N3O7P/c1-8-12(17)10(6-16-11(13(18)19)3-2-4-14)9(5-15-8)7-23-24(20,21)22/h5,11,16-17H,2-4,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/t11-/m1/s1
Definition date:2003-02-10
Last modified:2024-09-27
Identifier:N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-ornithine
LW8
LW8
Name:trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Formula:C9 H16 N3 O2 S
SMILES:C[N+](C)(C)[CH](CC1=CNC(=S)N1)C(O)=O
InChi:InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1
Definition date:2019-08-30
Last modified:2024-09-27
Release date:2020-08-26
Identifier:trimethyl-[(2~{S})-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
SCY
SCY
Name:S-ACETYL-CYSTEINE
Formula:C5 H9 N O3 S
SMILES:O=C(O)C(N)CSC(=O)C
InChi:InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:S-acetyl-L-cysteine
WUZ
WUZ
Name:N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide
Formula:C19 H16 Cl2 N2 O3
SMILES:Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CC(C)C2=O)c(Cl)c1
InChi:InChI=1S/C19H16Cl2N2O3/c1-11-8-17(24)23(19(11)26)15-6-3-12(4-7-15)18(25)22-10-13-2-5-14(20)9-16(13)21/h2-7,9,11H,8,10H2,1H3,(H,22,25)/t11-/m1/s1
Definition date:2023-10-13
Last modified:2024-09-27
Release date:2024-06-26
Identifier:N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide
T6H
T6H
Name:2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide
Formula:C12 H17 N O2 S
SMILES:CC(C)(Oc1ccccc1)C(=O)NCCS
InChi:InChI=1S/C12H17NO2S/c1-12(2,11(14)13-8-9-16)15-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,13,14)
Definition date:2020-12-15
Last modified:2024-09-27
Release date:2021-07-07
Identifier:2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide
OAZ
OAZ
Name:(2-azidophenyl)methyl hydrogen carbonate
Formula:C8 H7 N3 O2
SMILES:C(=O)(O)OCc1c(cccc1)N=[N+]=[N-]
InChi:InChI=1S/C8H7N3O3/c9-11-10-7-4-2-1-3-6(7)5-14-8(12)13/h1-4H,5H2,(H,12,13)
Definition date:2017-05-10
Last modified:2024-09-27
Release date:2017-12-20
Identifier:(2-azidophenyl)methyl hydrogen carbonate
V61
V61
Name:2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine
Formula:C9 H6 F4 I N O2
SMILES:c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F
InChi:InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
Definition date:2020-07-06
Last modified:2024-09-27
Release date:2021-07-07
Identifier:2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine
P5P
P5P
Name:PURINE RIBOSIDE-5'-MONOPHOSPHATE
Formula:C10 H13 N4 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cncnc12)C(O)C3O
InChi:InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine
MOX
MOX
Name:(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
Formula:C18 H18 N2 O9
SMILES:O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O
InChi:InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17+,18-/m0/s1
Synonyms:MOXALACTAM DERIVATIVE (open form)
Definition date:2000-08-11
Last modified:2024-09-27
Identifier:(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
TN6
TN6
Name:diethylphosphoramidic acid
Formula:C4 H12 N O3 P
SMILES:O=P(O)(O)N(CC)CC
InChi:InChI=1S/C4H12NO3P/c1-3-5(4-2)9(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)
Definition date:2009-05-11
Last modified:2024-09-27
Identifier:diethylphosphoramidic acid
P5Q
P5Q
Name:1-(4-methylphenyl)-1,2,4-triazole
Formula:C9 H9 N3
SMILES:Cc1ccc(cc1)n2cncn2
InChi:InChI=1S/C9H9N3/c1-8-2-4-9(5-3-8)12-7-10-6-11-12/h2-7H,1H3
Definition date:2020-04-15
Last modified:2024-09-27
Release date:2020-09-23
Identifier:1-(4-methylphenyl)-1,2,4-triazole
WV0
WV0
Name:5-fluoro-1,3-dihydro-2H-indol-2-one
Formula:C8 H6 F N O
SMILES:Fc1cc2CC(=O)Nc2cc1
InChi:InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
Definition date:2022-10-20
Last modified:2024-09-27
Release date:2022-11-23
Identifier:5-fluoro-1,3-dihydro-2H-indol-2-one
TN7
TN7
Name:ethyl hydrogen ethylamidophosphate
Formula:C4 H12 N O3 P
SMILES:O=P(O)(OCC)NCC
InChi:InChI=1S/C4H12NO3P/c1-3-5-9(6,7)8-4-2/h3-4H2,1-2H3,(H2,5,6,7)
Definition date:2009-05-12
Last modified:2024-09-27
Identifier:ethyl hydrogen ethylamidophosphate
PYA
PYA
Name:3-(1,10-PHENANTHROL-2-YL)-L-ALANINE
Formula:C15 H13 N3 O2
SMILES:O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3
InChi:InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:3-(1,10-phenanthrolin-2-yl)-L-alanine
WFD
WFD
Name:1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one
Formula:C27 H34 N8 O
SMILES:CN1CCN(CC1)c2nc(nc(c2)Nc3cc(C)nn3)c4ccc(cc4)C5CCN(CC5)C(/C=C)=O
InChi:InChI=1S/C27H34N8O/c1-4-26(36)35-11-9-21(10-12-35)20-5-7-22(8-6-20)27-29-23(28-24-17-19(2)31-32-24)18-25(30-27)34-15-13-33(3)14-16-34/h4-8,17-18,21H,1,9-16H2,2-3H3,(H2,28,29,30,31,32)
Definition date:2020-10-26
Last modified:2024-09-27
Release date:2021-02-10
Identifier:1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one
1PN
1PN
Name:prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
Formula:C13 H17 N O5 S
SMILES:O=C(OCC=C)C1=CSC(N1)C(C=O)C(OC(=O)C)C
InChi:InChI=1S/C13H17NO5S/c1-4-5-18-13(17)11-7-20-12(14-11)10(6-15)8(2)19-9(3)16/h4,6-8,10,12,14H,1,5H2,2-3H3/t8-,10-,12+/m1/s1
Synonyms:"(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE, Bound form"
Definition date:1999-12-02
Last modified:2024-09-27
Identifier:prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
MOZ
MOZ
Name:(2Z)-2-amino-3-hydroxybut-2-enoic acid
Formula:C4 H7 N O3
SMILES:O=C(O)C(=C(O)C)N
InChi:InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h6H,5H2,1H3,(H,7,8)/b3-2-
Definition date:2013-10-10
Last modified:2024-09-27
Release date:2014-12-10
Identifier:(2Z)-2-amino-3-hydroxybut-2-enoic acid
SD0
SD0
Name:(S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide
Formula:C13 H20 B N2 O6
SMILES:N[CH](Cc1ccc(cc1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O
InChi:InChI=1S/C13H20BN2O6/c15-11(12(18)19)5-9-1-3-10(4-2-9)14(20)21-7-13(16,6-17)8-22-14/h1-4,11,17,20H,5-8,15-16H2,(H,18,19)/q-1/t11-,13-,14+/m0/s1
Synonyms:(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal
Definition date:2023-08-30
Last modified:2024-09-27
Release date:2024-05-01
Identifier:(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-oxidanyl-1,3-dioxa-2-boranuidacyclohex-2-yl]phenyl]propanoic acid
T7P
T7P
Name:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
Formula:C12 H12 F N O3 S
SMILES:C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)cc2
InChi:InChI=1S/C12H12FNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-7,12H,8H2,1H3/t12-/m1/s1
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
U1M
U1M
Name:1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:C14 H20 N2 O3 S
SMILES:N2(CCN(S(c1ccc(cc1C)C)(=O)=O)CC2)C(C)=O
InChi:InChI=1S/C14H20N2O3S/c1-11-4-5-14(12(2)10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3
Definition date:2020-04-08
Last modified:2024-09-27
Release date:2020-04-15
Identifier:1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
V64
V64
Name:tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate
Formula:C29 H48 N6 O7
SMILES:O=C(OC(C)(C)C)NC1C(=O)NC(C(NC(CCC(NCCCCc2nnc(CC1)o2)=O)CO)=O)CC3CCCCC3
InChi:InChI=1S/C29H48N6O7/c1-29(2,3)42-28(40)33-21-13-15-25-35-34-24(41-25)11-7-8-16-30-23(37)14-12-20(18-36)31-27(39)22(32-26(21)38)17-19-9-5-4-6-10-19/h19-22,36H,4-18H2,1-3H3,(H,30,37)(H,31,39)(H,32,38)(H,33,40)/t20-,21-,22-/m0/s1
Definition date:2015-08-31
Last modified:2024-09-27
Release date:2016-02-10
Identifier:tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate
V65
V65
Name:4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
Formula:C21 H27 Cl N6 O2
SMILES:Clc1ccc(cc1)CN(c2nc(nc(n2)C(=O)N)N3CCOCC3)C4CCCCC4
InChi:InChI=1S/C21H27ClN6O2/c22-16-8-6-15(7-9-16)14-28(17-4-2-1-3-5-17)21-25-19(18(23)29)24-20(26-21)27-10-12-30-13-11-27/h6-9,17H,1-5,10-14H2,(H2,23,29)
Definition date:2012-06-13
Last modified:2024-09-27
Release date:2013-05-08
Identifier:4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-(morpholin-4-yl)-1,3,5-triazine-2-carboxamide
PYD
PYD
Name:2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE
Formula:C6 H9 N3
SMILES:n1c(N)c(cnc1C)C
InChi:InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9)
Definition date:1999-09-13
Last modified:2024-09-27
Identifier:2,5-dimethylpyrimidin-4-amine
P5U
P5U
Name:O-[(4-cyanophenyl)sulfonyl]-L-serine
Formula:C10 H10 N2 O5 S
SMILES:NC(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O
InChi:InChI=1S/C10H10N2O5S/c11-5-7-1-3-8(4-2-7)18(15,16)17-6-9(12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m0/s1
Definition date:2018-06-28
Last modified:2024-09-27
Release date:2019-07-03
Identifier:O-[(4-cyanophenyl)sulfonyl]-L-serine

243911

數據於2025-10-29公開中

PDB statisticsPDBj update infoContact PDBjnumon