Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
HGF
HGF
Name:2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one
Formula:C22 H20 N4 O3
SMILES:O=C2c1c3c(nc1CCN2)c5c(cc3)cnc(c4cc(OCCOC)cnc4)c5
InChi:InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)
Definition date:2010-03-17
Last modified:2011-06-04
Identifier:2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one
HGP
HGP
Name:(1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE
Formula:C38 H77 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/p+1/t36-/m1/s1
Definition date:2004-02-13
Last modified:2011-06-04
Identifier:(7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide
HGT
HGT
Name:(2-((2R,3S,4R,5S,6S)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YLAMINO)ETHOXY)STANNANETRIOL
Formula:C8 H20 N2 O8 Sn
SMILES:O[Sn](O)(O)OCCNC1OC(C(O)C(O)C1N)CO
InChi:InChI=1S/C8H17N2O5.3H2O.Sn/c9-5-7(14)6(13)4(3-12)15-8(5)10-1-2-11
Definition date:2005-12-01
Last modified:2011-06-04
Identifier:2-amino-2-deoxy-N-{2-[(trihydroxystannanyl)oxy]ethyl}-alpha-L-gulopyranosylamine
HI5
HI5
Name:2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOSPHORANYL)OXY]METHYL}ETHYL BUTYRATE
Formula:C11 H23 O9 P
SMILES:O=C(OCC(OC(=O)CCC)COP(O)(O)(O)O)CCC
InChi:InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1
Definition date:2004-04-02
Last modified:2011-06-04
Identifier:(2R)-3-[(tetrahydroxy-lambda~5~-phosphanyl)oxy]propane-1,2-diyl dibutanoate
HIE
HIE
Name:4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide
Formula:C23 H27 F3 N4 O3
SMILES:FC(F)(F)c2nn(c1c2C(=O)CC(C1)(C)C)c4ccc(C(=O)N)c(NC3CCC(O)CC3)c4
InChi:InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14+
Definition date:2010-09-07
Last modified:2011-06-04
Identifier:4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide
2DP
2DP
Name:3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHOSPHONYL]-[1,2-DI[2,6,10,14-TETRAMETHYL-HEXADECAN-16-YL]GLYCEROL
Formula:C47 H98 O11 P2
SMILES:O=P(O)(OC)OCC(O)COP(=O)(O)OCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChi:InChI=1S/C47H98O11P2/c1-38(2)18-12-20-40(5)22-14-24-42(7)26-16-28-44(9)30-32-54-36-47(37-58-60(51,52)57-35-46(48)34-56-59(49,50)53-11)55-33-31-45(10)29-17-27-43(8)25-15-23-41(6)21-13-19-39(3)4/h38-48H,12-37H2,1-11H3,(H,49,50)(H,51,52)/t40?,41-,42?,43+,44-,45-,46-,47+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S,5R,8R,13S,17S,21R)-2,5-dihydroxy-13,17,21,25-tetramethyl-5-oxido-8-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-4,6,10-trioxa-5-phosphahexacos-1-yl methyl hydrogen (S)-phosphate (non-preferred name)
2E3
2E3
Name:(2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid
Formula:C24 H28 O3
SMILES:O=C(O)C=Cc3cc(c1c(cc2c(c1)C(CCC2(C)C)(C)C)C)c(O)cc3
InChi:InChI=1S/C24H28O3/c1-15-12-19-20(24(4,5)11-10-23(19,2)3)14-17(15)18-13-16(6-8-21(18)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+
Definition date:2009-01-19
Last modified:2011-06-04
Identifier:(2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid
2FH
2FH
Name:2-PHENYLHEME
Formula:C40 H36 Fe N4 O4
SMILES:O=C(O)CCC=1C=8[N+]4=C(C=1C)C=C5C(=C(C=C)C6=CC9=[N+]3C(=Cc2c(c(c(n2[Fe]34N56)C=8c7ccccc7)CCC(=O)O)C)C(C=C)=C9C)C
InChi:InChI=1S/C40H38N4O4.Fe/c1-7-26-21(3)30-18-32-23(5)28(14-16-36(45)46)39(43-32)38(25-12-10-9-11-13-25)40-29(15-17-37(47)48)24(6)33(44-40)20-35-27(8-2)22(4)31(42-35)19-34(26)41-30
Definition date:2004-02-11
Last modified:2011-06-04
Identifier:[3,3'-(7,12-diethenyl-3,8,13,17-tetramethyl-20-phenylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron(2+)
2G0
2G0
Name:(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide
Formula:C25 H45 N5 O8
SMILES:O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N)CC(C)C)CCC1)CCCCN)CC2OC(C(O)C(O)C2O)C
InChi:InChI=1S/C25H45N5O8/c1-13(2)11-16(23(27)35)29-24(36)17-8-6-10-30(17)25(37)15(7-4-5-9-26)28-19(31)12-18-21(33)22(34)20(32)14(3)38-18/h13-18,20-22,32-34H,4-12,26H2,1-3H3,(H2,27,35)(H,28,31)(H,29,36)/t14-,15-,16-,17-,18-,20+,21+,22+/m0/s1
Definition date:2008-06-30
Last modified:2011-06-04
Identifier:(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide (non-preferred name)
2HY
2HY
Name:2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Formula:C22 H18 F3 N3 O4
SMILES:FC(F)(F)c1cc(ccc1)N2C(=C(C(=O)OCCO)C(NC2=O)c3ccc(C#N)cc3)C
InChi:InChI=1S/C22H18F3N3O4/c1-13-18(20(30)32-10-9-29)19(15-7-5-14(12-26)6-8-15)27-21(31)28(13)17-4-2-3-16(11-17)22(23,24)25/h2-8,11,19,29H,9-10H2,1H3,(H,27,31)/t19-/m1/s1
Definition date:2011-01-05
Last modified:2011-06-04
Identifier:2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2IP
2IP
Name:D-MYO-INOSITOL-1,4-BISPHOSPHATE
Formula:C6 H14 O12 P2
SMILES:O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)(O)O
InChi:InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6+/m1/s1
Definition date:2001-03-27
Last modified:2011-06-04
Identifier:(1R,2R,3R,4S,5R,6S)-2,3,5,6-tetrahydroxycyclohexane-1,4-diyl bis[dihydrogen (phosphate)]
2LI
2LI
Name:N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
Formula:C29 H36 F2 N4 O2
SMILES:Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC4(c2cccc(c2)C(C)(C)C)CCc3c(cnn3)C4
InChi:InChI=1S/C29H36F2N4O2/c1-18(36)34-26(12-19-10-23(30)14-24(31)11-19)27(37)17-32-29(9-8-25-20(15-29)16-33-35-25)22-7-5-6-21(13-22)28(2,3)4/h5-7,10-11,13-14,16,26-27,32,37H,8-9,12,15,17H2,1-4H3,(H,33,35)(H,34,36)/t26-,27+,29-/m0/s1
Definition date:2009-09-02
Last modified:2011-06-04
Identifier:N-[(2S,3R)-4-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
2MV
2MV
Name:(1S,2S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol
Formula:C29 H46 O4
SMILES:OC(CC1CC(OC1)(C)C4CCC3C(=CC=C2/C(=C)C(O)C(C)C(O)C2)CCCC34C)(C)C
InChi:InChI=1S/C29H46O4/c1-18-22(14-24(30)19(2)26(18)31)10-9-21-8-7-13-28(5)23(21)11-12-25(28)29(6)16-20(17-33-29)15-27(3,4)32/h9-10,19-20,23-26,30-32H,1,7-8,11-17H2,2-6H3/b21-9+,22-10-/t19-,20-,23-,24+,25-,26+,28-,29-/m0/s1
Definition date:2009-06-25
Last modified:2011-06-04
Identifier:(1S,2S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol
2PH
2PH
Name:[7,8-DIHYDRO-PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE
Formula:C7 H11 N5 O8 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC1=NC=2C(=O)NC(=NC=2NC1)N
InChi:InChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl trihydrogen diphosphate
2PQ
2PQ
Name:2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
Formula:C38 H41 N O5
SMILES:O=C(O)C(Oc1cccc2c1CCCN2CCCOc5ccc(C(=O)c4ccc(c3ccccc3)cc4)cc5CCC)(C)C
InChi:InChI=1S/C38H41NO5/c1-4-11-30-26-31(36(40)29-19-17-28(18-20-29)27-12-6-5-7-13-27)21-22-34(30)43-25-10-24-39-23-9-14-32-33(39)15-8-16-35(32)44-38(2,3)37(41)42/h5-8,12-13,15-22,26H,4,9-11,14,23-25H2,1-3H3,(H,41,42)
Definition date:2009-02-23
Last modified:2011-06-04
Identifier:2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
HLC
HLC
Name:4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide
Formula:C14 H16 Cl N O4
SMILES:O=C2OCCC2NC(=O)CCCOc1ccc(Cl)cc1
InChi:InChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1
Definition date:2011-02-15
Last modified:2011-06-04
Identifier:4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide
HMC
HMC
Name:5-HYDROXYMETHYL-CHONDURITOL
Formula:C7 H12 O5
SMILES:OC1C(=CC(O)C(O)C1O)CO
InChi:InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
HME
HME
Name:PORPHYCENE CONTAINING FE
Formula:C34 H36 Fe N4 O4
SMILES:O=C(O)CCC=8C2=C1C(=C(C=3N1[Fe]57[N+]2=C(C=Cc6c(c(c(C4=[N+]5C(=CC=3)C(=C4C)CC)n67)C)CC)C=8C)C)CCC(=O)O
InChi:InChI=1S/C34H38N4O4.Fe/c1-7-21-19(5)31-32-20(6)22(8-2)28(38-32)14-12-26-18(4)24(10-16-30(41)42)34(36-26)33-23(9-15-29(39)40)17(3)25(35-33)11-13-27(21)37-31
Definition date:2006-01-10
Last modified:2011-06-04
Identifier:{3,3'-[9,14-diethyl-4,10,13,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1~2,5~.1~8,11~.1~12,15~]tetracosa-1,3,5(24),6,8,10,12(22),13,15,17,19-undecaene-3,20-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron(2+)
HNB
HNB
Name:(2S,5R)-5-pentyltetrahydrofuran-2-ol
Formula:C9 H18 O2
SMILES:OC1OC(CCCCC)CC1
InChi:InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
Definition date:2008-10-07
Last modified:2011-06-04
Identifier:(2S,5R)-5-pentyltetrahydrofuran-2-ol
HP7
HP7
Name:(2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
Formula:C17 H25 N3 O18 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3NC(=O)C)O)O
InChi:InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1
Definition date:2010-08-05
Last modified:2011-06-04
Identifier:(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
HRB
HRB
Name:N-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-2-PENTYLTETRAHYDROFURAN-3-YL]-L-HISTIDINE
Formula:C17 H27 N3 O5
SMILES:O=C(O)C(NC(=O)C)Cc1ncn(c1)C2C(OC(O)C2)CCCCC
InChi:InChI=1S/C17H27N3O5/c1-3-4-5-6-15-14(8-16(22)25-15)20-9-12(18-10-20)7-13(17(23)24)19-11(2)21/h9-10,13-16,22H,3-8H2,1-2H3,(H,19,21)(H,23,24)/t13-,14-,15+,16+/m0/s1
Definition date:2006-02-06
Last modified:2011-06-04
Identifier:N-acetyl-1-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-histidine
HTP
HTP
Name:4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5,6,7-TETRAHYDRO-1H-[1,2,3]TRIAZOLO[1,5-A]PYRIDIN-8-YLIUM
Formula:C7 H12 N3 O4
SMILES:OC2c1cnn[n+]1C(C(O)C2O)CO
InChi:InChI=1S/C7H11N3O4/c11-2-4-6(13)7(14)5(12)3-1-8-9-10(3)4/h1,4-7,11-14H,2H2/p+1/t4-,5+,6-,7-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(4S,5S,6R,7R)-4,5,6-trihydroxy-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[1,5-a]pyridin-8-ium
HUX
HUX
Name:3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE
Formula:C18 H19 Cl N2
SMILES:Clc2ccc1c(N)c3c(nc1c2)CC4C=C(CC3C4)CC
InChi:InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11-,12+/m0/s1
Definition date:2000-08-09
Last modified:2011-06-04
Identifier:(7S,11S)-3-chloro-9-ethyl-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-12-amine
HX0
HX0
Name:N,N,N-trioctyloctan-1-aminium
Formula:C32 H68 N
SMILES:[N+](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChi:InChI=1S/C32H68N/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1
Definition date:2008-08-14
Last modified:2011-06-04
Identifier:N,N,N-trioctyloctan-1-aminium
HXB
HXB
Name:4'-methylthymidine 5'-(tetrahydrogen triphosphate)
Formula:C11 H19 N2 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2(OC(N1C(=O)NC(=O)C(=C1)C)CC2O)C
InChi:InChI=1S/C11H19N2O14P3/c1-6-4-13(10(16)12-9(6)15)8-3-7(14)11(2,25-8)5-24-29(20,21)27-30(22,23)26-28(17,18)19/h4,7-8,14H,3,5H2,1-2H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t7-,8+,11+/m0/s1
Definition date:2010-03-31
Last modified:2011-06-04
Identifier:4'-methylthymidine 5'-(tetrahydrogen triphosphate)

223532

数据于2024-08-07公开中

PDB statisticsPDBj update infoContact PDBjnumon