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
YPP
YPP
Name:Hydrolyzed piperacillin
Formula:C23 H29 N5 O8 S
SMILES:O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3
InChi:InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17-/m1/s1
Synonyms:(2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Definition date:2011-01-06
Last modified:2024-09-27
Identifier:(2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
UON
UON
Name:4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
Formula:C15 H11 Cl N2 O2
SMILES:COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3
InChi:InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3
Definition date:2021-03-03
Last modified:2024-09-27
Release date:2021-06-09
Identifier:4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
XZ6
XZ6
Name:7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Formula:C8 H9 N2 O2 S
SMILES:Cc1csc2N=C(CO)CC(=O)[n]12
InChi:InChI=1S/C8H9N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h4,11H,2-3H2,1H3
Definition date:2023-11-14
Last modified:2024-09-27
Release date:2024-02-14
Identifier:7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one
S9W
S9W
Name:~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
Formula:C25 H30 Br N3 O3
SMILES:Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1
InChi:InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31)
Definition date:2020-11-13
Last modified:2024-09-27
Release date:2021-06-30
Identifier:~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
YCM
YCM
Name:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
Formula:C5 H10 N2 O3 S
SMILES:O=C(O)C(N)CSCC(=O)N
InChi:InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Synonyms:CYSTEINE-S-ACETAMIDE
Definition date:2002-02-18
Last modified:2024-09-27
Identifier:S-(2-amino-2-oxoethyl)-L-cysteine
QON
QON
Name:N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
Formula:C14 H18 Cl N3 O3
SMILES:ClCC(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3
InChi:InChI=1S/C14H18ClN3O3/c15-8-13(19)18-5-3-10(4-6-18)16-14(20)11-7-12(21-17-11)9-1-2-9/h7,9-10H,1-6,8H2,(H,16,20)
Synonyms:~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
Definition date:2020-07-13
Last modified:2024-09-27
Release date:2022-07-27
Identifier:~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
ZS9
ZS9
Name:dehydrocostus lactone, bound form
Formula:C15 H20 O2
SMILES:C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C
InChi:InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1
Definition date:2023-07-03
Last modified:2024-09-27
Release date:2024-07-03
Identifier:(3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one
S9X
S9X
Name:2-azanyl-2-butyl-hexanal
Formula:C10 H21 N O2
SMILES:CCCCC(N)(CCCC)C(O)=O
InChi:InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13)
Definition date:2022-12-15
Last modified:2024-09-27
Release date:2023-10-11
Identifier:2-azanyl-2-butyl-hexanoic acid
KKC
KKC
Name:delta-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III)
Formula:C37 H25 F4 Ir N5 O2
SMILES:Fc1cc(F)c(c([Ir+3]c2cc(F)cc(F)c2c3ccccn3)c1)c4ccccn4.O=C5CCC(=O)N5Cc6ccc(nc6)c7ccccn7
InChi:InChI=1S/C15H13N3O2.2C11H6F2N.Ir/c19-14-6-7-15(20)18(14)10-11-4-5-13(17-9-11)12-3-1-2-8-16-12
Definition date:2022-09-23
Last modified:2024-09-27
Release date:2023-03-15
RGP
RGP
Name:GAMMA-GLUTAMYL PHOSPHATE
Formula:C5 H10 N O7 P
SMILES:O=C(OP(=O)(O)O)CCC(C(=O)O)N
InChi:InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m1/s1
Synonyms:5-OXO-5-(PHOSPHONOOXY)-D-NORVALINE
Definition date:2005-07-20
Last modified:2024-09-27
Identifier:5-oxo-5-(phosphonooxy)-D-norvaline
NE9
NE9
Name:2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide
Formula:C22 H29 Cl2 N3 O3
SMILES:ClCC(=O)NC1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1
InChi:InChI=1S/C22H29Cl2N3O3/c23-15-19(28)25-18-13-21(14-18)5-9-27(10-6-21)20(29)22(7-11-30-12-8-22)26-17-3-1-16(24)2-4-17/h1-4,18,26H,5-15H2,(H,25,28)
Definition date:2022-08-17
Last modified:2024-09-27
Release date:2023-09-20
Identifier:2-chloranyl-~{N}-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide
4IT
4IT
Name:N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:C23 H31 N5 O4
SMILES:COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N
InChi:InChI=1S/C23H31N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11-15,18,24,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/b24-12+/t14-,15-,18-/m0/s1
Definition date:2021-07-09
Last modified:2024-09-27
Release date:2021-09-01
Identifier:N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
XZA
XZA
Name:diazanecarboxylic acid
Formula:C H4 N2 O2
SMILES:NNC(O)=O
InChi:InChI=1S/CH4N2O2/c2-3-1(4)5/h3H,2H2,(H,4,5)
Definition date:2016-06-03
Last modified:2024-09-27
Release date:2017-06-28
Identifier:diazanecarboxylic acid
YCP
YCP
Name:(2S)-piperidine-2-carboxylic acid
Formula:C6 H11 N O2
SMILES:OC(=O)[CH]1CCCCN1
InChi:InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
Definition date:2010-01-07
Last modified:2024-09-27
Identifier:(2S)-piperidine-2-carboxylic acid
S9Z
S9Z
Name:~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
Formula:C25 H30 Br N3 O3
SMILES:CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3
InChi:InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)
Definition date:2020-11-13
Last modified:2024-09-27
Release date:2021-06-30
Identifier:~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
ZSC
ZSC
Name:5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
Formula:C10 H11 N O6 S
SMILES:O=S(=O)(N(c1cc(cc(c1)C(=O)O)C(=O)O)C)C
InChi:InChI=1S/C10H11NO6S/c1-11(18(2,16)17)8-4-6(9(12)13)3-7(5-8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
Definition date:2011-12-08
Last modified:2024-09-27
Release date:2012-11-16
Identifier:5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
Z9J
Z9J
Name:3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid
Formula:C13 H19 N O2 S2
SMILES:NCCSCc1cccc(CSCCC(O)=O)c1
InChi:InChI=1S/C13H19NO2S2/c14-5-7-18-10-12-3-1-2-11(8-12)9-17-6-4-13(15)16/h1-3,8H,4-7,9-10,14H2,(H,15,16)
Synonyms:3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid
Definition date:2024-01-22
Last modified:2024-09-27
Release date:2024-04-24
Identifier:3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid
LDH
LDH
Name:N~6~-ETHYL-L-LYSINE
Formula:C8 H18 N2 O2
SMILES:O=C(O)C(N)CCCCNCC
InChi:InChI=1S/C8H18N2O2/c1-2-10-6-4-3-5-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-/m0/s1
Definition date:2007-07-09
Last modified:2024-09-27
Identifier:N~6~-ethyl-L-lysine
V2K
V2K
Name:4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
Formula:C16 H14 N2 O2
SMILES:COc1ccc2n(c(C)nc2c1)c3ccc(C=O)cc3
InChi:InChI=1S/C16H14N2O2/c1-11-17-15-9-14(20-2)7-8-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
Definition date:2021-04-08
Last modified:2024-09-27
Release date:2021-06-09
Identifier:4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
SA1
SA1
Name:(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE
Formula:C15 H21 N O4
SMILES:O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC3
InChi:InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
Synonyms:Salinosporamide A, bound form
Definition date:2005-12-29
Last modified:2024-09-27
Identifier:(3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxohexahydro-2H-furo[2,3-c]pyrrole-6-carbaldehyde
UOT
UOT
Name:4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
Formula:C15 H11 Cl N2 O2
SMILES:COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1
InChi:InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3
Definition date:2021-03-03
Last modified:2024-09-27
Release date:2021-06-09
Identifier:4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
SA2
SA2
Name:(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE
Formula:C13 H19 N O9 S
SMILES:O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O
InChi:InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1
Synonyms:4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID
Definition date:2006-06-09
Last modified:2024-09-27
Identifier:(3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine
V2M
V2M
Name:N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:C24 H34 N4 O6
SMILES:COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)CO
InChi:InChI=1S/C24H34N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,20,26,29-30H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-,20+/m0/s1
Synonyms:N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, bound form
Definition date:2020-06-19
Last modified:2024-09-27
Release date:2020-07-08
Identifier:N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
YPZ
YPZ
Name:3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine
Formula:C15 H15 N3 O4
SMILES:O=C2C=C(O)C(=N/Nc1ccccc1)C=C2CC(C(=O)O)N
InChi:InChI=1S/C15H15N3O4/c16-11(15(21)22)6-9-7-12(14(20)8-13(9)19)18-17-10-4-2-1-3-5-10/h1-5,7-8,11,17,20H,6,16H2,(H,21,22)/b18-12-/t11-/m0/s1
Definition date:2013-04-12
Last modified:2024-09-27
Release date:2013-04-24
Identifier:3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine
YCT
YCT
Name:2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate
Formula:C17 H34 N3 O9 P
SMILES:O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCOC(=O)C(N)CC(C)C
InChi:InChI=1S/C17H34N3O9P/c1-11(2)9-12(18)16(24)28-8-7-19-13(21)5-6-20-15(23)14(22)17(3,4)10-29-30(25,26)27/h11-12,14,22H,5-10,18H2,1-4H3,(H,19,21)(H,20,23)(H2,25,26,27)/t12-,14-/m0/s1
Definition date:2023-01-24
Last modified:2024-09-27
Release date:2023-06-21
Identifier:2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate

243083

数据于2025-10-15公开中

PDB statisticsPDBj update infoContact PDBjnumon