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PVK
PVK
Name:(S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione
Formula:C9 H11 N3 O5
SMILES:N[CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O
InChi:InChI=1S/C9H11N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
Synonyms:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
Definition date:2020-04-28
Last modified:2020-06-17
Release date:2020-06-03
Identifier:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrofuro[3,4-d]pyrimidin-1-yl]propanoic acid
PWK
PWK
Name:4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)
Formula:C20 H26 O4
SMILES:Oc1ccc(cc1OC)CC(C)C(C)Cc2ccc(O)c(OC)c2
InChi:InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1
Synonyms:Dihydroguaiaretic acid
Definition date:2014-04-02
Last modified:2020-06-17
Release date:2014-11-26
Identifier:4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)
BC3
BC3
Name:2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Formula:C12 H11 N5 O
SMILES:O=C1c2c(N=C(N1)N)c(cn2)Cc3cccnc3
InChi:InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
Synonyms:peldesine,BCX-34
Definition date:2008-06-25
Last modified:2020-06-17
Identifier:2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
BC4
BC4
Name:(3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
Formula:C11 H16 N2 O S
SMILES:O=C1NC2C(SCC2N1)CCCCC#C
InChi:InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1
Synonyms:biotin acetylene
Definition date:2013-10-17
Last modified:2020-06-17
Release date:2013-10-30
Identifier:(3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
BCG
BCG
Name:3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
Formula:C16 H19 N O4
SMILES:O=C(O)C3C1N(C)C(CC1)CC3OC(=O)c2ccccc2
InChi:InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
Synonyms:BENZOYLECGONINE
Definition date:2003-09-15
Last modified:2020-06-17
Identifier:(1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid
PXB
PXB
Name:parecoxib
Formula:C19 H18 N2 O4 S
SMILES:O=C(NS(=O)(=O)c3ccc(c2c(onc2c1ccccc1)C)cc3)CC
InChi:InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)
Synonyms:N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide
Definition date:2008-06-17
Last modified:2020-06-17
Identifier:N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide
PXD
PXD
Name:2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
Formula:C16 H14 F5 N5 O5 S
SMILES:FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(OC)cnc(OC)n3n2
InChi:InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
Synonyms:Penoxsulam
Definition date:2014-06-05
Last modified:2020-06-17
Release date:2018-02-14
Identifier:2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
PXE
PXE
Name:2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime
Formula:C10 H13 N O2
SMILES:O=C1C=C(C(=NO)C=C1C(C)C)C
InChi:InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,13H,1-3H3/b11-9+
Synonyms:(E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone
Definition date:2010-04-12
Last modified:2020-06-17
Identifier:(4E)-4-(hydroxyimino)-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
BCZ
BCZ
Name:3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID
Formula:C15 H28 N4 O4
SMILES:O=C(O)C1CC(NC(=[N@H])N)C(C(NC(=O)C)C(CC)CC)C1O
InChi:InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
Synonyms:BCX-1812
Definition date:2002-03-18
Last modified:2020-06-17
Identifier:(1S,2S,3R,4R)-3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentanecarboxylic acid
PXM
PXM
Name:4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL
Formula:C8 H12 N2 O2
SMILES:Oc1c(c(cnc1C)CO)CN
InChi:InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
Synonyms:PYRIDOXAMINE
Definition date:2003-11-13
Last modified:2020-06-17
Identifier:4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
PXN
PXN
Name:(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
Formula:C17 H36 O8
SMILES:O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C
InChi:InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m1/s1
Synonyms:PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH)
Definition date:2010-04-21
Last modified:2020-06-17
Identifier:(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
PY5
PY5
Name:2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTANOIC ACID
Formula:C13 H21 N2 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC
InChi:InChI=1S/C13H21N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1
Synonyms:VITAMIN B6 COMPLEXED WITH 2-AMINO-PENTANOIC ACID
Definition date:1999-08-18
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-norvaline
PY6
PY6
Name:2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXANOIC ACID
Formula:C14 H23 N2 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCC
InChi:InChI=1S/C14H23N2O7P/c1-3-4-5-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6,12,16-17H,3-5,7-8H2,1-2H3,(H,18,19)(H2,20,21,22)/t12-/m0/s1
Synonyms:VITAMIN B6 COMPLEXED WITH 2-AMINO-HEXANOIC ACID
Definition date:1999-08-18
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-norleucine
PY7
PY7
Name:PYRIDIN-4-YLMETHANOL
Formula:C6 H7 N O
SMILES:OCc1ccncc1
InChi:InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
Synonyms:4-PYRIDYLCARBINOL
Definition date:2005-11-08
Last modified:2020-06-17
Identifier:pyridin-4-ylmethanol
BDL
BDL
Name:N-(biphenyl-4-ylsulfonyl)-D-leucine
Formula:C18 H21 N O4 S
SMILES:O=C(O)C(NS(=O)(=O)c2ccc(c1ccccc1)cc2)CC(C)C
InChi:InChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1
Synonyms:(R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid
Definition date:2008-09-18
Last modified:2020-06-17
Identifier:N-(biphenyl-4-ylsulfonyl)-D-leucine
BDT
BDT
Name:5-beta-DIHYDROTESTOSTERONE
Formula:C19 H30 O2
SMILES:O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)C
InChi:InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
Synonyms:(5beta,8alpha,17beta)-17-hydroxyandrostan-3-one
Definition date:2008-07-15
Last modified:2020-06-17
Identifier:(5beta,8alpha,17beta)-17-hydroxyandrostan-3-one
PYF
PYF
Name:3-PYRIDINYLCARBINOL
Formula:C6 H7 N O
SMILES:OCc1cccnc1
InChi:InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
Synonyms:PYRIDIN-3-YLMETHANOL
Definition date:2003-09-29
Last modified:2020-06-17
Identifier:pyridin-3-ylmethanol
BE3
BE3
Name:N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Formula:C38 H38 F2 N2 O8
SMILES:Fc1cccc(c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4)C(=O)NC6c5ccccc5CC6O
InChi:InChI=1S/C38H38F2N2O8/c39-25-11-5-7-21(15-25)19-49-35(37(47)41-31-27-13-3-1-9-23(27)17-29(31)43)33(45)34(46)36(50-20-22-8-6-12-26(40)16-22)38(48)42-32-28-14-4-2-10-24(28)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
Synonyms:INHIBITOR BEA403
Definition date:2004-08-10
Last modified:2020-06-17
Identifier:(2R,3R,4R,5R)-2,5-bis[(3-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)
BE4
BE4
Name:(2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE
Formula:C38 H36 F4 N2 O8
SMILES:Fc1ccc(c(F)c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccc(F)cc4F)C(=O)NC6c5ccccc5CC6O
InChi:InChI=1S/C38H36F4N2O8/c39-23-11-9-21(27(41)15-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)13-29(31)45)33(47)34(48)36(52-18-22-10-12-24(40)16-28(22)42)38(50)44-32-26-8-4-2-6-20(26)14-30(32)46/h1-12,15-16,29-36,45-48H,13-14,17-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
Synonyms:INHIBITOR BEA403
Definition date:2004-08-10
Last modified:2020-06-17
Identifier:(2R,3R,4R,5R)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)
BE5
BE5
Name:(2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE
Formula:C38 H36 F4 N2 O8
SMILES:Fc1cccc(c1F)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4F)C(=O)NC6c5ccccc5CC6O
InChi:InChI=1S/C38H36F4N2O8/c39-25-13-5-9-21(29(25)41)17-51-35(37(49)43-31-23-11-3-1-7-19(23)15-27(31)45)33(47)34(48)36(52-18-22-10-6-14-26(40)30(22)42)38(50)44-32-24-12-4-2-8-20(24)16-28(32)46/h1-14,27-28,31-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t27-,28-,31+,32+,33-,34-,35-,36-/m1/s1
Synonyms:HIV-1 INHIBITOR
Definition date:2004-08-10
Last modified:2020-06-17
Identifier:(2R,3R,4R,5R)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)
PYV
PYV
Name:4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
Formula:C16 H13 Br N2 O2 S
SMILES:Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3
InChi:InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2
Synonyms:Pyrabactin
Definition date:2010-06-09
Last modified:2020-06-17
Identifier:4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
BEB
BEB
Name:N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Formula:C38 H40 N2 O8
SMILES:O=C(NC2c1ccccc1CC2O)C(OCc3ccccc3)C(O)C(O)C(OCc4ccccc4)C(=O)NC6c5ccccc5CC6O
InChi:InChI=1S/C38H40N2O8/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
Synonyms:INHIBITOR BEA369
Definition date:2000-01-31
Last modified:2020-06-17
Identifier:(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)
BEC
BEC
Name:[5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE
Formula:C35 H43 N3 O8
SMILES:O=C(NC)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc2ccccc2)C(=O)NC4c3ccccc3CC4O)C(C)C
InChi:InChI=1S/C35H43N3O8/c1-21(2)27(33(42)36-3)37-34(43)31(45-19-22-12-6-4-7-13-22)29(40)30(41)32(46-20-23-14-8-5-9-15-23)35(44)38-28-25-17-11-10-16-24(25)18-26(28)39/h4-17,21,26-32,39-41H,18-20H2,1-3H3,(H,36,42)(H,37,43)(H,38,44)/t26-,27+,28+,29-,30-,31-,32-/m1/s1
Synonyms:INHIBITOR BEA388
Definition date:2000-01-31
Last modified:2020-06-17
Identifier:(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide (non-preferred name)
BED
BED
Name:N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Formula:C38 H38 F2 N2 O8
SMILES:Fc1ccccc1COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccccc4F)C(=O)NC6c5ccccc5CC6O
InChi:InChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
Synonyms:INHIBITOR BEA403
Definition date:2000-01-31
Last modified:2020-06-17
Identifier:(2R,3R,4R,5R)-2,5-bis[(2-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)
BEH
BEH
Name:2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE
Formula:C36 H38 N2 O7
SMILES:O=C(NCc1ccccc1)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O
InChi:InChI=1S/C36H38N2O7/c39-29-20-27-18-10-11-19-28(27)30(29)38-36(43)34(45-23-26-16-8-3-9-17-26)32(41)31(40)33(44-22-25-14-6-2-7-15-25)35(42)37-21-24-12-4-1-5-13-24/h1-19,29-34,39-41H,20-23H2,(H,37,42)(H,38,43)/t29-,30+,31-,32-,33-,34-/m1/s1
Synonyms:INHIBITOR BEA435
Definition date:1999-10-05
Last modified:2020-06-17
Identifier:(2R,3R,4R,5R)-N-benzyl-2,5-bis(benzyloxy)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)

245396

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