Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PY3
PY3
Name:5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE
Formula:C34 H40 N10 O4
SMILES:O=C(Nc1ccncc1)c2cc(C(=[N@H])N)ccc2CNC(=O)CN3C(=CN=C(NC(C)C)C3=O)c4cc(N)cc(C(=O)NC(C)CC)c4
InChi:InChI=1S/C34H40N10O4/c1-5-20(4)42-32(46)24-12-23(13-25(35)14-24)28-17-40-31(41-19(2)3)34(48)44(28)18-29(45)39-16-22-7-6-21(30(36)37)15-27(22)33(47)43-26-8-10-38-11-9-26/h6-15,17,19-20H,5,16,18,35H2,1-4H3,(H3,36,37)(H,39,45)(H,40,41)(H,42,46)(H,38,43,47)/t20-/m1/s1
Definition date:2005-03-25
Last modified:2011-06-04
Identifier:2-[({[6-(3-amino-5-{[(1R)-1-methylpropyl]carbamoyl}phenyl)-3-[(1-methylethyl)amino]-2-oxopyrazin-1(2H)-yl]acetyl}amino)methyl]-5-carbamimidoyl-N-pyridin-4-ylbenzamide
NGP
NGP
Name:NOGALAMYCIN (PROTONATED FORM)
Formula:C39 H52 N O16
SMILES:O=C(OC)C3C1=CC7C(=C(O)C1C(OC2OC(C)C(OC)C(OC)(C)C2OC)CC3(O)C)C(=O)c6c(O)cc4c(OC5OC4(C(O)C(C5O)[NH+](C)C)C)c6C7=O
InChi:InChI=1S/C39H51NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,16,19-20,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/p+1/t14-,16-,19-,20-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1
Definition date:2002-02-21
Last modified:2011-06-04
Identifier:(2R,3S,4R,5R,6R,10aS,11S,13S,14R,15aS)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-3,5,8,10,13-pentahydroxy-14-(methoxycarbonyl)-N,N,6,13-tetramethyl-9,16-dioxo-3,4,5,6,9,10a,11,12,13,14,15a,16-dodecahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-4-aminium
XIG
XIG
Name:5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
Formula:C34 H29 N O8
SMILES:COc1ccc(cc1)c2ccc(CN([CH]3CCCc4ccccc34)C(=O)c5cc(C(O)=O)c(cc5C(O)=O)C(O)=O)cc2
InChi:InChI=1S/C34H29NO8/c1-43-24-15-13-22(14-16-24)21-11-9-20(10-12-21)19-35(30-8-4-6-23-5-2-3-7-25(23)30)31(36)26-17-28(33(39)40)29(34(41)42)18-27(26)32(37)38/h2-3,5,7,9-18,30H,4,6,8,19H2,1H3,(H,37,38)(H,39,40)(H,41,42)/t30-/m0/s1
Definition date:2009-12-01
Last modified:2011-06-04
Identifier:5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
UFG
UFG
Name:URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE
Formula:C15 H23 F N2 O16 P2
SMILES:O=P(OC1OC(C(F)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C15H23FN2O16P2/c16-8-5(3-19)32-14(12(24)10(8)22)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
TM1
TM1
Name:2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate)
Formula:C16 H15 N8 O13 P
SMILES:[O-][N+](=O)C5=CC([N+]([O-])=O)C=C([N+]([O-])=O)C15OC4C(O1)C(OC4n2c3ncnc(N)c3nc2)COP(=O)(O)O
InChi:InChI=1S/C16H15N8O13P/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(35-15)3-34-38(31,32)33)36-16(37-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-7,11-12,15H,3H2,(H2,17,18,19)(H2,31,32,33)/t6?,7-,11-,12-,15-,16-/m1/s1
Definition date:2011-01-07
Last modified:2011-06-04
Identifier:2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate)
P4O
P4O
Name:2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Formula:C21 H16 N4 O
SMILES:O=C2c1cc(nc1CCN2)c5ccnc(c3cc4ccccc4nc3)c5
InChi:InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
Definition date:2006-12-09
Last modified:2011-06-04
Identifier:2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
TM2
TM2
Name:5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate)
Formula:C12 H20 N3 O12 P S
SMILES:O=S(=O)(O)CCNCC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C12H20N3O12PS/c16-8-7(5-26-28(20,21)22)27-11(9(8)17)15-4-6(10(18)14-12(15)19)3-13-1-2-29(23,24)25/h4,7-9,11,13,16-17H,1-3,5H2,(H,14,18,19)(H2,20,21,22)(H,23,24,25)/t7-,8-,9-,11-/m1/s1
Definition date:2008-03-14
Last modified:2011-06-04
Identifier:5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate)
P4P
P4P
Name:TETRAPHENYLPHOSPHONIUM
Formula:C24 H20 P
SMILES:c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
InChi:InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:tetraphenylphosphonium
YI1
YI1
Name:[4-[3-(DIFLUORO-PHOSPHONO-METHYL)PHENYL]PHENYL]METHOXYAZANIUM
Formula:C14 H15 F2 N O4 P
SMILES:[NH3+]OCc1ccc(cc1)c2cccc(c2)C(F)(F)[P](O)(O)=O
InChi:InChI=1S/C14H14F2NO4P/c15-14(16,22(18,19)20)13-3-1-2-12(8-13)11-6-4-10(5-7-11)9-21-17/h1-8H,9H2,17H3,(H-,18,19,20)/p+1
Definition date:2010-12-14
Last modified:2011-06-04
Identifier:[4-[3-(difluoro-phosphono-methyl)phenyl]phenyl]methoxyazanium
SSA
SSA
Name:5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE
Formula:C13 H19 N7 O8 S
SMILES:O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO
InChi:InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-O-(L-serylsulfamoyl)adenosine
NGU
NGU
Name:U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN
Formula:C39 H49 N O17
SMILES:O=C(OC)C7c4c(c(O)c5C(=O)c3c(O)cc1c(OC2OC1(C(O)C(N(C)CO)C2O)C)c3C(=O)c5c4)C(OC6OC(C)C(OC)C(OC)(C)C6OC)CC7(O)C
InChi:InChI=1S/C39H49NO17/c1-14-32(50-6)39(4,53-9)33(51-7)36(54-14)55-19-12-37(2,49)24(34(48)52-8)15-10-16-21(27(44)20(15)19)28(45)22-18(42)11-17-30(23(22)26(16)43)56-35-29(46)25(40(5)13-41)31(47)38(17,3)57-35/h10-11,14,19,24-25,29,31-33,35-36,41-42,44,46-47,49H,12-13H2,1-9H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:methyl (2R,3S,4R,5R,6R,11S,13S,14R)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-3,5,8,10,13-pentahydroxy-4-[(hydroxymethyl)(methyl)amino]-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
UFM
UFM
Name:URIDINE-5'-DIPHOSPHATE-MANNOSE
Formula:C15 H24 N2 O17 P2
SMILES:O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12+,13-,14-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
SSC
SSC
Name:(2S,5S)-5-CARBOXYMETHYLPROLINE
Formula:C7 H11 N O4
SMILES:O=C(O)CC1NC(C(=O)O)CC1
InChi:InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1
Definition date:2003-07-24
Last modified:2011-06-04
Identifier:(5S)-5-(carboxymethyl)-L-proline
Y00
Y00
Name:DOBUTAMINE
Formula:C18 H23 N O3
SMILES:C[CH](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
InChi:InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m1/s1
Definition date:2010-11-30
Last modified:2011-06-04
Identifier:4-[2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol
UFO
UFO
Name:1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
Formula:C11 H17 N3
SMILES:c2c(cc1c(N(CCN1C)C)c2)CN
InChi:InChI=1S/C11H17N3/c1-13-5-6-14(2)11-7-9(8-12)3-4-10(11)13/h3-4,7H,5-6,8,12H2,1-2H3
Definition date:2009-03-26
Last modified:2011-06-04
Identifier:1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
PYC
PYC
Name:PYRROLE-2-CARBOXYLATE
Formula:C5 H4 N O2
SMILES:[O-]C(=O)c1cccn1
InChi:InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/p-1
Definition date:2000-03-27
Last modified:2011-06-04
Identifier:1H-pyrrole-2-carboxylate
UFP
UFP
Name:5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:C9 H12 F N2 O8 P
SMILES:FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2'-deoxy-5-fluorouridine 5'-(dihydrogen phosphate)
TMA
TMA
Name:TETRAMETHYLAMMONIUM ION
Formula:C4 H12 N
SMILES:C[N+](C)(C)C
InChi:InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
Definition date:2000-03-14
Last modified:2011-06-04
Identifier:N,N,N-trimethylmethanaminium
PYE
PYE
Name:TETRAHYDROPYRAN
Formula:C5 H10 O
SMILES:O1CCCCC1
InChi:InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
Definition date:2002-02-07
Last modified:2011-06-04
Identifier:tetrahydro-2H-pyran
UFR
UFR
Name:2'-DEOXY-5-FORMYLURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:C10 H13 N2 O9 P
SMILES:O=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H13N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2-3,6-8,14H,1,4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
Definition date:2006-10-19
Last modified:2011-06-04
Identifier:2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate)
5PB
5PB
Name:4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:C23 H18 Cl N3 O3 S
SMILES:Clc1ccc(cc1)C(=O)CSC2=NNC(=O)N2c3ccc(OCc4ccccc4)cc3
InChi:InChI=1S/C23H18ClN3O3S/c24-18-8-6-17(7-9-18)21(28)15-31-23-26-25-22(29)27(23)19-10-12-20(13-11-19)30-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,25,29)
Definition date:2010-02-01
Last modified:2011-06-04
Identifier:3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one
P4Y
P4Y
Name:5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid
Formula:C20 H15 N3 O4
SMILES:O=C(O)c1nc(nc(O)c1O)Cc3c2ccccc2nc3c4ccccc4
InChi:InChI=1S/C20H15N3O4/c24-18-17(20(26)27)22-15(23-19(18)25)10-13-12-8-4-5-9-14(12)21-16(13)11-6-2-1-3-7-11/h1-9,21,24H,10H2,(H,26,27)(H,22,23,25)
Definition date:2011-02-08
Last modified:2011-06-04
Identifier:5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid
X39
X39
Name:4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE
Formula:C19 H21 Cl N6 O
SMILES:Clc1ccc(cc1)CNC(=O)C4(N)CCN(c2ncnc3c2ccn3)CC4
InChi:InChI=1S/C19H21ClN6O/c20-14-3-1-13(2-4-14)11-23-18(27)19(21)6-9-26(10-7-19)17-15-5-8-22-16(15)24-12-25-17/h1-5,8,12H,6-7,9-11,21H2,(H,23,27)(H,22,24,25)
Definition date:2010-01-22
Last modified:2011-06-04
Identifier:4-amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
NVG
NVG
Name:4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE
Formula:C19 H22 N6 O5
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)CCc3nc4ccccc4n3
InChi:InChI=1S/C19H22N6O5/c20-13-7-8-25(19(29)24-13)18-17(28)16(27)12(30-18)9-21-15(26)6-5-14-22-10-3-1-2-4-11(10)23-14/h1-4,7-8,12,16-18,27-28H,5-6,9H2,(H,21,26)(H,22,23)(H2,20,24,29)/t12-,16+,17+,18+/m0/s1
Definition date:2007-06-07
Last modified:2011-06-04
Identifier:4-amino-1-(5-{[3-(1H-benzimidazol-2-yl)propanoyl]amino}-5-deoxy-alpha-L-lyxofuranosyl)pyrimidin-2(1H)-one
NH1
NH1
Name:3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE
Formula:C29 H37 N O4 S
SMILES:O=C3OC(C1CCCC1)(CC(O)=C3Sc2cc(c(N)cc2C(C)(C)C)C)CCc4ccc(O)cc4
InChi:InChI=1S/C29H37NO4S/c1-18-15-25(22(16-23(18)30)28(2,3)4)35-26-24(32)17-29(34-27(26)33,20-7-5-6-8-20)14-13-19-9-11-21(31)12-10-19/h9-12,15-16,20,31-32H,5-8,13-14,17,30H2,1-4H3/t29-/m0/s1
Definition date:2003-03-26
Last modified:2011-06-04
Identifier:(6S)-3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one

223532

数据于2024-08-07公开中

PDB statisticsPDBj update infoContact PDBjnumon