Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
UWU
UWU
Name:6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one
Formula:C15 H9 Cl O3
SMILES:Clc2c(O)cc1OC(=O)C=C(c1c2)c3ccccc3
InChi:InChI=1S/C15H9ClO3/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,17H
Definition date:2012-06-10
Last modified:2014-09-05
Release date:2013-01-18
Identifier:6-chloro-7-hydroxy-4-phenyl-2H-chromen-2-one
YM5
YM5
Name:(3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL
Formula:C18 H21 N5 O2
SMILES:n1cnc4c(c1N2CC(OCC2)CN)c(c3cccc(c3)CO)cn4
InChi:InChI=1S/C18H21N5O2/c19-7-14-9-23(4-5-25-14)18-16-15(8-20-17(16)21-11-22-18)13-3-1-2-12(6-13)10-24/h1-3,6,8,11,14,24H,4-5,7,9-10,19H2,(H,20,21,22)/t14-/m0/s1
Definition date:2011-06-06
Last modified:2014-09-05
Identifier:(3-{4-[(2S)-2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol
Y46
Y46
Name:N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE
Formula:C17 H16 N4 O4 S
SMILES:O=S(=O)(c1ccccc1)NC2=C(N)N(C(=O)NC2=O)Cc3ccccc3
InChi:InChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23)
Definition date:2012-05-02
Last modified:2014-09-05
Release date:2012-10-26
Identifier:N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzenesulfonamide
Z5P
Z5P
Name:1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
Formula:C10 H11 N3
SMILES:n1cccn1c2c(cccc2)CN
InChi:InChI=1S/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2
Definition date:2012-02-07
Last modified:2014-09-05
Release date:2012-12-14
Identifier:1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
P96
P96
Name:2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol
Formula:C25 H32 I N3 O
SMILES:Ic2c(O)c(cc(C#CCNc1ccccc1)c2)CN3CCC(N(CC)CC)CC3
InChi:InChI=1S/C25H32IN3O/c1-3-29(4-2)23-12-15-28(16-13-23)19-21-17-20(18-24(26)25(21)30)9-8-14-27-22-10-6-5-7-11-22/h5-7,10-11,17-18,23,27,30H,3-4,12-16,19H2,1-2H3
Definition date:2012-01-30
Last modified:2014-09-05
Identifier:2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol
XNS
XNS
Name:METHYL ESTER OCTYL ALPHA-1O-D-MANNOPYRANNOSIDE
Formula:C16 H30 O8
SMILES:O=C(OC)CCCCCCCCOC1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13-,14+,15+,16+/m1/s1
Definition date:2012-05-26
Last modified:2014-09-05
Identifier:methyl 9-(alpha-D-mannopyranosyloxy)nonanoate
XO3
XO3
Name:5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
Formula:C15 H18 N2 O2
SMILES:O=C1C=C(ON1)C3CCNC(Cc2ccccc2)C3
InChi:InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1
Definition date:2013-12-10
Last modified:2014-09-05
Release date:2014-06-18
Identifier:5-[(2R,4S)-2-benzylpiperidin-4-yl]-1,2-oxazol-3(2H)-one
TC0
TC0
Name:4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL
Formula:C25 H24 N4 O2
SMILES:Oc1ccc(c(O)c1)c5ccc(c2cc(nn2)Nc3ccc(cc3)CNC4CC4)cc5
InChi:InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26,30-31H,9-10,15H2,(H2,27,28,29)
Definition date:2012-09-26
Last modified:2014-09-05
Release date:2012-10-12
Identifier:4'-[3-({4-[(cyclopropylamino)methyl]phenyl}amino)-1H-pyrazol-5-yl]biphenyl-2,4-diol
YNC
YNC
Name:TETRADEC-13-YNOIC ACID - COA THIOESTER
Formula:C35 H58 N7 O17 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCC#C
InChi:InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h1,22-24,28-30,34,45-46H,5-21H2,2-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1
Definition date:2012-10-13
Last modified:2014-09-05
Release date:2014-01-15
Identifier:S-{(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradec-13-ynethioate (non-preferred name)
Q31
Q31
Name:5-[(2S)-2-[[2-(1H-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
Formula:C20 H25 N3 O5
SMILES:O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)Cc3ncnc3
InChi:InChI=1S/C20H25N3O5/c1-12(2)5-13(8-22-17(24)7-15-9-21-10-23-15)6-14-3-4-16-19(28-11-27-16)18(14)20(25)26/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/t13-/m0/s1
Definition date:2013-12-19
Last modified:2014-09-05
Release date:2014-01-08
Identifier:5-[(2S)-2-{[(1H-imidazol-4-ylacetyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid
08C
08C
Name:2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
Formula:C15 H12 N2 O2
SMILES:O=C2c3ccccc3N=C(c1ccc(OC)cc1)N2
InChi:InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
Definition date:2013-06-20
Last modified:2014-09-05
Release date:2013-10-30
Identifier:2-(4-methoxyphenyl)quinazolin-4(3H)-one
S3G
S3G
Name:5-[(2S)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
Formula:C21 H24 N2 O5
SMILES:O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)c3ccncc3
InChi:InChI=1S/C21H24N2O5/c1-13(2)9-14(11-23-20(24)15-5-7-22-8-6-15)10-16-3-4-17-19(28-12-27-17)18(16)21(25)26/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)(H,25,26)/t14-/m0/s1
Definition date:2013-12-19
Last modified:2014-09-05
Release date:2014-01-08
Identifier:5-[(2S)-4-methyl-2-{[(pyridin-4-ylcarbonyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid
X8U
X8U
Name:2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid
Formula:C31 H28 N4 O2 S2
SMILES:O=C(O)c1nc(sc1CCCCc2ccccc2)c3ccc6c(c3)/C(=N/Nc4nc5ccccc5s4)CCC6
InChi:InChI=1S/C31H28N4O2S2/c36-30(37)28-27(16-6-4-11-20-9-2-1-3-10-20)38-29(33-28)22-18-17-21-12-8-14-24(23(21)19-22)34-35-31-32-25-13-5-7-15-26(25)39-31/h1-3,5,7,9-10,13,15,17-19H,4,6,8,11-12,14,16H2,(H,32,35)(H,36,37)/b34-24+
Definition date:2013-02-04
Last modified:2014-09-05
Release date:2013-04-24
Identifier:2-{(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid
ZRM
ZRM
Name:7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
Formula:C18 H12 N2 O2 S
SMILES:O=C2c1cc(sc1C(=CN2)c3ccc(O)cc3)c4ccncc4
InChi:InChI=1S/C18H12N2O2S/c21-13-3-1-11(2-4-13)15-10-20-18(22)14-9-16(23-17(14)15)12-5-7-19-8-6-12/h1-10,21H,(H,20,22)
Definition date:2011-06-17
Last modified:2014-09-05
Identifier:7-(4-hydroxyphenyl)-2-(pyridin-4-yl)thieno[3,2-c]pyridin-4(5H)-one
ZS0
ZS0
Name:3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE
Formula:C12 H9 F N4 O S
SMILES:Fc1ccc(cc1)CN3c2ncnc2C(=O)NC3=S
InChi:InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19)
Definition date:2011-06-21
Last modified:2014-09-05
Identifier:3-(4-fluorobenzyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one
U6B
U6B
Name:4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE
Formula:C22 H24 N4 O2
SMILES:O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3(N)CCOCC3
InChi:InChI=1S/C22H24N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,15,20,24H,9-13,25H2,(H,26,27)/b24-15+/t20-/m0/s1
Definition date:2013-10-31
Last modified:2014-09-05
Release date:2014-03-19
Identifier:4-amino-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]tetrahydro-2H-pyran-4-carboxamide
Y70
Y70
Name:S-Pomalidomide
Formula:C13 H11 N3 O4
SMILES:O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3=O)N
InChi:InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1
Definition date:2013-12-05
Last modified:2014-09-05
Release date:2014-07-16
Identifier:4-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
O19
O19
Name:(2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
Formula:C25 H28 N6 O2
SMILES:O=C(Nc1ccc(cc1)c2nc(ncc2)Nc4ccc(N3CCOCC3)cc4)C5NCCC5
InChi:InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Definition date:2012-09-21
Last modified:2014-09-05
Release date:2012-11-16
Identifier:N-[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]-D-prolinamide
Y7N
Y7N
Name:5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid
Formula:C24 H26 N2 O5
SMILES:O=C(NC2C(/c1ccccc1C2)=C/c3ccc4OCOc4c3C(=O)O)CCCCCN
InChi:InChI=1S/C24H26N2O5/c25-11-5-1-2-8-21(27)26-19-13-15-6-3-4-7-17(15)18(19)12-16-9-10-20-23(31-14-30-20)22(16)24(28)29/h3-4,6-7,9-10,12,19H,1-2,5,8,11,13-14,25H2,(H,26,27)(H,28,29)/b18-12+/t19-/m0/s1
Definition date:2013-12-07
Last modified:2014-09-05
Release date:2014-01-08
Identifier:5-[(E)-{(2S)-2-[(6-aminohexanoyl)amino]-2,3-dihydro-1H-inden-1-ylidene}methyl]-1,3-benzodioxole-4-carboxylic acid
VUP
VUP
Name:4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
Formula:C11 H12 N6 O
SMILES:n1onc(N)c1c2nc3c(n2CC)cc(nc3)C
InChi:InChI=1S/C11H12N6O/c1-3-17-8-4-6(2)13-5-7(8)14-11(17)9-10(12)16-18-15-9/h4-5H,3H2,1-2H3,(H2,12,16)
Definition date:2013-08-21
Last modified:2014-09-05
Release date:2013-10-09
Identifier:4-(1-ethyl-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
Q4Q
Q4Q
Name:N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide
Formula:C14 H24 N2 O2 S
SMILES:O=S(=O)(NCCN(CC)CC)Cc1ccc(cc1)C
InChi:InChI=1S/C14H24N2O2S/c1-4-16(5-2)11-10-15-19(17,18)12-14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3
Definition date:2012-08-24
Last modified:2014-09-05
Release date:2013-09-04
Identifier:N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide
ZT2
ZT2
Name:5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
Formula:C18 H12 O5
SMILES:O=C2C(c1ccccc1C2)=Cc3ccc4OCOc4c3C(=O)O
InChi:InChI=1S/C18H12O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7H,8-9H2,(H,20,21)/b13-7+
Definition date:2011-07-01
Last modified:2014-09-05
Identifier:5-[(E)-(2-oxo-2,3-dihydro-1H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
ZT4
ZT4
Name:5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
Formula:C18 H14 O5
SMILES:O=C(O)c1c(ccc2OCOc12)/C=C4c3ccccc3CC4O
InChi:InChI=1S/C18H14O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7,14,19H,8-9H2,(H,20,21)/b13-7+/t14-/m0/s1
Definition date:2011-07-01
Last modified:2014-09-05
Identifier:5-{(E)-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid
TDV
TDV
Name:1-[(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one
Formula:C27 H30 F N5 O2
SMILES:Fc5ccc(c1nnn(c1)C4CN(C(=O)CCCc2ccccc2)C(C(=O)N3CCCC3)C4)cc5
InChi:InChI=1S/C27H30FN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1
Definition date:2012-10-01
Last modified:2014-09-05
Identifier:1-[(2S,4S)-4-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
KEE
KEE
Name:(1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
Formula:C19 H16 N2 O3
SMILES:O=C(NO)C4C(c1ccccc1)C4c3ccc(c2ocnc2)cc3
InChi:InChI=1S/C19H16N2O3/c22-19(21-23)18-16(13-4-2-1-3-5-13)17(18)14-8-6-12(7-9-14)15-10-20-11-24-15/h1-11,16-18,23H,(H,21,22)/t16-,17-,18-/m1/s1
Definition date:2013-10-17
Last modified:2014-09-05
Release date:2013-12-11
Identifier:(1R,2R,3R)-N-hydroxy-2-[4-(1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropanecarboxamide

223532

數據於2024-08-07公開中

PDB statisticsPDBj update infoContact PDBjnumon