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
LYM
LYM
Name:DEOXY-METHYL-LYSINE
Formula:C7 H16 N2 O
SMILES:O=C(C)C(N)CCCCN
InChi:InChI=1S/C7H16N2O/c1-6(10)7(9)4-2-3-5-8/h7H,2-5,8-9H2,1H3/t7-/m0/s1
Definition date:1999-07-08
Last modified:2011-08-06
Identifier:(3S)-3,7-diaminoheptan-2-one
0A5
0A5
Name:4-bromobutanoic acid
Formula:C4 H7 Br O2
SMILES:OC(=O)CCCBr
InChi:InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
Definition date:2009-03-26
Last modified:2011-08-06
Identifier:4-bromobutanoic acid
ASK
ASK
Name:DEHYDROXYMETHYLASPARTIC ACID
Formula:C5 H9 N O3
SMILES:O=C(C)C(N)CC(=O)O
InChi:InChI=1S/C5H9NO3/c1-3(7)4(6)2-5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
Synonyms:ASPARTYLMETHANE
Definition date:1999-07-08
Last modified:2011-08-06
Identifier:(3S)-3-amino-4-oxopentanoic acid
OPH
OPH
Name:2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER
Formula:C10 H12 O3
SMILES:O=C(OC)C(O)Cc1ccccc1
InChi:InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m0/s1
Definition date:1999-07-08
Last modified:2011-08-06
Identifier:methyl (2S)-2-hydroxy-3-phenylpropanoate
2AO
2AO
Name:(2S)-2-AMINOHEXAN-1-OL
Formula:C6 H15 N O
SMILES:OCC(N)CCCC
InChi:InChI=1S/C6H15NO/c1-2-3-4-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m0/s1
Definition date:2005-09-01
Last modified:2011-08-06
Identifier:(2S)-2-aminohexan-1-ol
PHM
PHM
Name:(3S)-3-amino-1-chloro-4-phenylbutan-2-one
Formula:C10 H12 Cl N O
SMILES:ClCC(=O)C(N)Cc1ccccc1
InChi:InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1
Definition date:1999-07-08
Last modified:2011-08-06
Identifier:(3S)-3-amino-1-chloro-4-phenylbutan-2-one
PKR
PKR
Name:(2S)-1-methylpyrrolidine-2-carbaldehyde
Formula:C6 H11 N O2
SMILES:O=C(O)C1N(C)CCC1
InChi:InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
Definition date:2009-07-01
Last modified:2011-08-06
Identifier:1-methyl-L-proline
PLE
PLE
Name:[(1R)-1-amino-3-methylbutyl]phosphonic acid
Formula:C5 H14 N O3 P
SMILES:O=P(O)(O)C(N)CC(C)C
InChi:InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1
Definition date:1999-07-08
Last modified:2011-08-06
Identifier:[(1R)-1-amino-3-methylbutyl]phosphonic acid
PO0
PO0
Name:1-BENZYL-(R)-PROPYLAMINE
Formula:C10 H15 N
SMILES:NC(Cc1ccccc1)CC
InChi:InChI=1S/C10H15N/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8,11H2,1H3/t10-/m1/s1
Definition date:2001-02-26
Last modified:2011-08-06
Identifier:(2R)-1-phenylbutan-2-amine
PPL
PPL
Name:PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE
Formula:C10 H20 N2 O
SMILES:O=C(NC(C)(C)C)C1NCCCC1
InChi:InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
Definition date:1999-07-08
Last modified:2011-08-06
Identifier:(2S)-N-tert-butylpiperidine-2-carboxamide
PS0
PS0
Name:3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL
Formula:C10 H15 N O
SMILES:OC(C(N)Cc1ccccc1)C
InChi:InChI=1S/C10H15NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7,11H2,1H3/t8-,10-/m0/s1
Definition date:2001-02-26
Last modified:2011-08-06
Identifier:(2S,3S)-3-amino-4-phenylbutan-2-ol
PTF
PTF
Name:[(METHYLSULFANYL)METHYL]BENZENE
Formula:C8 H10 S
SMILES:benzyl methyl sulfide
InChi:InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
Definition date:2003-11-24
Last modified:2011-08-06
Identifier:[(methylsulfanyl)methyl]benzene
PY2
PY2
Name:3-(MERCAPTOMETHYLENE)PYRIDINE
Formula:C6 H7 N S
SMILES:SCc1cccnc1
InChi:InChI=1S/C6H7NS/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
Definition date:1999-07-08
Last modified:2011-08-06
Identifier:pyridin-3-ylmethanethiol
DPH
DPH
Name:DEAMINO-METHYL-PHENYLALANINE
Formula:C10 H12 O2
SMILES:O=C(O)C(C)Cc1ccccc1
InChi:InChI=1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1
Definition date:1999-07-08
Last modified:2011-08-06
Identifier:(2S)-2-methyl-3-phenylpropanoic acid
QND
QND
Name:QUINALDIC ACID
Formula:C10 H7 N O2
SMILES:O=C(O)c1nc2ccccc2cc1
InChi:InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
Definition date:1999-07-08
Last modified:2011-08-06
Identifier:quinoline-2-carboxylic acid
WDR
WDR
Name:(4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one
Formula:C16 H19 N3 O4
SMILES:O=C3Nc2c(cc(c1c(onc1C)C)cc2)C(OCCO)N3C
InChi:InChI=1S/C16H19N3O4/c1-9-14(10(2)23-18-9)11-4-5-13-12(8-11)15(22-7-6-20)19(3)16(21)17-13/h4-5,8,15,20H,6-7H2,1-3H3,(H,17,21)/t15-/m0/s1
Definition date:2011-07-13
Last modified:2011-08-05
Identifier:(4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one
RYJ
RYJ
Name:4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
Formula:C9 H9 F3 N2 O3 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)F)cc1
InChi:InChI=1S/C9H9F3N2O3S/c10-9(11,12)5-14-8(15)6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H,14,15)(H2,13,16,17)
Definition date:2011-05-13
Last modified:2011-08-05
Identifier:4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
RYV
RYV
Name:N-ethyl-4-sulfamoylbenzamide
Formula:C9 H12 N2 O3 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCC)cc1
InChi:InChI=1S/C9H12N2O3S/c1-2-11-9(12)7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
Definition date:2011-05-13
Last modified:2011-08-05
Identifier:N-ethyl-4-sulfamoylbenzamide
RYX
RYX
Name:N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide
Formula:C10 H9 F5 N2 O3 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)F)cc1
InChi:InChI=1S/C10H9F5N2O3S/c11-9(12,10(13,14)15)5-17-8(18)6-1-3-7(4-2-6)21(16,19)20/h1-4H,5H2,(H,17,18)(H2,16,19,20)
Definition date:2011-05-16
Last modified:2011-08-05
Identifier:N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide
RYY
RYY
Name:N-propyl-4-sulfamoylbenzamide
Formula:C10 H14 N2 O3 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCCC)cc1
InChi:InChI=1S/C10H14N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15)
Definition date:2011-05-16
Last modified:2011-08-05
Identifier:N-propyl-4-sulfamoylbenzamide
RYZ
RYZ
Name:N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
Formula:C11 H9 F7 N2 O3 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)cc1
InChi:InChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)5-20-8(21)6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23)
Definition date:2011-05-16
Last modified:2011-08-05
Identifier:N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
RZ0
RZ0
Name:N-butyl-4-sulfamoylbenzamide
Formula:C11 H16 N2 O3 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCCCC)cc1
InChi:InChI=1S/C11H16N2O3S/c1-2-3-8-13-11(14)9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16)
Definition date:2011-05-16
Last modified:2011-08-05
Identifier:N-butyl-4-sulfamoylbenzamide
RZ1
RZ1
Name:N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide
Formula:C12 H9 F9 N2 O3 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChi:InChI=1S/C12H9F9N2O3S/c13-9(14,10(15,16)11(17,18)12(19,20)21)5-23-8(24)6-1-3-7(4-2-6)27(22,25)26/h1-4H,5H2,(H,23,24)(H2,22,25,26)
Definition date:2011-05-16
Last modified:2011-08-05
Identifier:N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide
RZ5
RZ5
Name:N-pentyl-4-sulfamoylbenzamide
Formula:C12 H18 N2 O3 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCCCCC)cc1
InChi:InChI=1S/C12H18N2O3S/c1-2-3-4-9-14-12(15)10-5-7-11(8-6-10)18(13,16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H2,13,16,17)
Definition date:2011-05-16
Last modified:2011-08-05
Identifier:N-pentyl-4-sulfamoylbenzamide
RZ7
RZ7
Name:4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
Formula:C13 H9 F11 N2 O3 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChi:InChI=1S/C13H9F11N2O3S/c14-9(15,10(16,17)11(18,19)12(20,21)13(22,23)24)5-26-8(27)6-1-3-7(4-2-6)30(25,28)29/h1-4H,5H2,(H,26,27)(H2,25,28,29)
Definition date:2011-05-17
Last modified:2011-08-05
Identifier:4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide

234136

数据于2025-04-02公开中

PDB statisticsPDBj update infoContact PDBjnumon