Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
39B
39B
表記:(S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE
組成式:C8 H9 B9 N4
SMILES:n1c(c(c(nc1N)N)CC29%12B8B%157%10B4[H]B53C2%11B36%13B45%15B67%14B89%10B%11%12%13%14)C
InChi:InChI=1S/C8H9B9N4/c1-3-4(5(18)21-6(19)20-3)2-8-7-9-11-10(8)14(8)12(7,8)13(7,9)15(9,11)16(10,11,14)17(12,13,14)15/h2H2,1H3,(H4,18,19,20,21)/q+1
定義日:2005-09-30
最終更新日:2023-09-25
39E
39E
表記:(R)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE
組成式:C8 H20 B9 N4
SMILES:n1c(c(c(nc1N)N)CC29%12B8B%157%10B4[H]B53C2%11B36%13B45%15B67%14B89%10B%11%12%13%14)C
InChi:InChI=1S/C8H20B9N4/c1-3-4(5(18)21-6(19)20-3)2-8-7-11-13(7)12(7,8)14(8)9(8)15(14)10(22-11)16(11,13,15)17(12,13,14)15/h7,9-17H,2H2,1H3,(H4,18,19,20,21)
定義日:2005-09-30
最終更新日:2023-09-25
LL8
LL8
表記:1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
組成式:C15 H14 O3
SMILES:O=C(C)CC(=O)c1ccc2c(c1)ccc(OC)c2
InChi:InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3
定義日:2011-11-16
最終更新日:2023-09-25
識別子（ID）:1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
N0U
N0U
表記:3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide
組成式:C27 H26 F2 N4 O
SMILES:CN([CH]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F
InChi:InChI=1S/C27H26F2N4O/c1-15-9-11-19(17-10-12-18-16(2)31-32-22(18)14-17)20-6-4-8-23(24(15)20)33(3)27(34)25-21(26(28)29)7-5-13-30-25/h5,7,9-14,23,26H,4,6,8H2,1-3H3,(H,31,32)/t23-/m1/s1
定義日:2022-08-11
最終更新日:2023-09-25
公開日:2022-08-31
識別子（ID）:3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide
ZNH
ZNH
表記:PROTOPORPHYRIN IX CONTAINING ZN
組成式:C34 H32 N4 O4 Zn
SMILES:CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=C)C(=C(CCC(O)=O)C5=C2)C
InChi:InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
定義日:2001-03-01
最終更新日:2023-09-23
WO2
WO2
表記:OCTADECATUNGSTENYL DIPHOSPHATE
組成式:O62 P2 W18
SMILES:O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[P]23O[W]456O[W]78O[W]9%10O[W]%11%12O[W]%13(O7)O[W]%14%15(O[P]%16%17O[W]%18%19(O%11)O[W]%20%21O[W]%22%23O[W]1(O9)(O%18)O[W]%24%25(O%22)O[W]%26(O%10)(O8)O[W](O4)(O[W](O2)(O%23)(O5)O[W](O%16)(O%20)(O%14)O[W]%27%28(O%15)O[W]%29(O%12)(O%13)O[W](O%21)(O%19)(O%27)[O]%17%28%29)(O%24)[O]3%25%26)O6
InChi:InChI=1S/2HO4P.18H2O.36O.18W/c2*1-5(2,3)4
定義日:2000-01-20
最終更新日:2023-09-23
識別子（ID）:oxygen; phosphorus; tungsten
HAS
HAS
表記:HEME-AS
組成式:C54 H64 Fe N4 O6
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[CH](O)C1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=Cc4c(C=C)c3C)C(=C(CCC(O)=O)C5=CC6=NC(=C2)C(=C6CCC(O)=O)C=O)C
InChi:InChI=1S/C54H66N4O6.Fe/c1-10-39-36(7)44-29-50-54(51(60)22-14-21-35(6)20-13-19-34(5)18-12-17-33(4)16-11-15-32(2)3)38(9)45(57-50)28-49-42(31-59)41(24-26-53(63)64)48(58-49)30-47-40(23-25-52(61)62)37(8)43(56-47)27-46(39)55-44
定義日:2000-03-06
最終更新日:2023-09-23
HB1
HB1
表記:RUTHENIUM-PYRIDOCARBAZOLE-1
組成式:C23 H13 N3 O3 Ru
SMILES:[Ru].O=C1NC(=O)c2c1c3cccnc3c4[nH]c5ccccc5c24.[C-]#[O+].C6=C[CH]=[C]=[CH]6
InChi:InChI=1S/C17H9N3O2.C5H4.CO.Ru/c21-16-12-9-5-3-7-18-14(9)15-11(13(12)17(22)20-16)8-4-1-2-6-10(8)19-15
定義日:2005-08-18
最終更新日:2023-09-23
YM6
YM6
表記:1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
組成式:C14 H16 N6 O
SMILES:NC[CH]1CN(CCO1)c2ncnc3[nH]c4cnccc4c23
InChi:InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)/t9-/m1/s1
定義日:2011-06-06
最終更新日:2023-09-23
識別子（ID）:[(2~{R})-4-(4,6,8,11-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-3-yl)morpholin-2-yl]methanamine
ZRL
ZRL
表記:7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
組成式:C12 H7 Br N2 O S
SMILES:BrC1=CNC(=O)c2cc(sc12)c3ccncc3
InChi:InChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16)
定義日:2011-06-17
最終更新日:2023-09-23
公開日:2011-06-29
識別子（ID）:7-bromanyl-2-pyridin-4-yl-5~{H}-thieno[3,2-c]pyridin-4-one
ZSV
ZSV
表記:(R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
組成式:C32 H35 N2 O8
SMILES:COc1ccc(CNC(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O)cc1
InChi:InChI=1S/C32H34N2O8/c1-3-16-34(18-22-6-4-5-7-26(22)31(37)33-17-21-8-11-24(40-2)12-9-21)19-23-10-14-27-30(29(23)32(38)39)41-20-25(42-27)13-15-28(35)36/h3-12,14,25H,1,13,15-20H2,2H3,(H,33,37)(H,35,36)(H,38,39)/p+1/t25-/m0/s1
定義日:2011-07-01
最終更新日:2023-09-23
識別子（ID）:[(2~{S})-5-carboxy-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
ZSW
ZSW
表記:(R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
組成式:C28 H35 N2 O7
SMILES:CC[CH](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2ccc3O[CH](CCC(O)=O)COc3c2C(O)=O
InChi:InChI=1S/C28H34N2O7/c1-4-14-30(15-19-8-6-7-9-22(19)27(33)29-18(3)5-2)16-20-10-12-23-26(25(20)28(34)35)36-17-21(37-23)11-13-24(31)32/h4,6-10,12,18,21H,1,5,11,13-17H2,2-3H3,(H,29,33)(H,31,32)(H,34,35)/p+1/t18-,21+/m1/s1
定義日:2011-07-01
最終更新日:2023-09-23
識別子（ID）:[2-[[(2~{R})-butan-2-yl]carbamoyl]phenyl]methyl-[[(2~{S})-5-carboxy-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
HE6
HE6
表記:6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMIN
組成式:C28 H24 Fe N4 O4
SMILES:CC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(C(O)=O)C5=CC6=NC(=Cc4c(C)c3C)C(=C6C(O)=O)C)C
InChi:InChI=1S/C28H26N4O4.Fe/c1-11-13(3)19-8-21-15(5)25(27(33)34)23(31-21)10-24-26(28(35)36)16(6)22(32-24)9-20-14(4)12(2)18(30-20)7-17(11)29-19
定義日:1999-07-08
最終更新日:2023-09-23
HEB
HEB
表記:HEME B/C
組成式:C34 H34 Fe N4 O4
SMILES:CCC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C
InChi:InChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
別名:HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE)
定義日:1999-07-08
最終更新日:2023-09-23
HEG
HEG
表記:PROTOPORPHYRIN IX CONTAINING MG
組成式:C34 H32 Mg N4 O4
SMILES:Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Mg]56n2c1C=C7C(=C(C)C(=[N+]57)C=C8[N]6C(=C4)C(=C8C=C)C)C=C)CCC(O)=O
InChi:InChI=1S/C34H34N4O4.Mg/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
定義日:1999-07-08
最終更新日:2023-09-23
VER
VER
表記:IRON-OCTAETHYLPORPHYRIN
組成式:C30 H27 Fe N4 O3
SMILES:CC1=CC2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=[O+]c4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C
InChi:InChI=1S/C30H28N4O3.Fe/c1-7-20-18(6)29-34-27(20)14-24-17(5)22(9-10-28(35)36)26(32-24)12-19-11-15(3)23(31-19)13-25-16(4)21(8-2)30(33-25)37-29
別名:VERDOHEME
定義日:2004-07-28
最終更新日:2023-09-23
HEV
HEV
表記:5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX
組成式:C36 H32 Fe N4 O4
SMILES:CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C=C)c3C=C)C(=C6C=C)C=C)C(=C(CCC(O)=O)C5=C2)C
InChi:InChI=1S/C36H34N4O4.Fe/c1-7-21-23(9-3)31-17-32-24(10-4)22(8-2)30(40-32)16-28-20(6)26(12-14-36(43)44)34(38-28)18-33-25(11-13-35(41)42)19(5)27(37-33)15-29(21)39-31
別名:1,3-DEDIMETHYL-1,3-DIVINYL HEME
定義日:2000-04-13
最終更新日:2023-09-23
ZEM
ZEM
表記:20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II)
組成式:C34 H32 N4 O5 Zn
SMILES:CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N]5C(=CC6=NC(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(C=C)C5=CC1=N2)C
InChi:InChI=1S/C34H34N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24
別名:ZN(II)-(20-OXO-PROTOPORPHYRIN IX)
定義日:2002-09-18
最終更新日:2023-09-23
YBT
YBT
表記:BIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDROXYMETHYL)METHANE YTTRIUM
組成式:C8 H19 N O5 Y
SMILES:[Y].OCCN(CCO)C(CO)(CO)CO
InChi:InChI=1S/C8H19NO5.Y/c10-3-1-9(2-4-11)8(5-12,6-13)7-14
定義日:2002-08-09
最終更新日:2023-09-23
HIF
HIF
表記:FE(III)-(4-MESOPORPHYRINONE)
組成式:C34 H36 Fe N4 O5
SMILES:CCc1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4CCC(O)=O)C)C(=O)[C]6(C)CC)C(=C3C)CCC(O)=O
InChi:InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-24-18(4)21(9-11-31(39)40)26(35-24)15-27-22(10-12-32(41)42)19(5)25(36-27)14-29-33(43)34(6,8-2)30(38-29)16-28(20)37-23
別名:FE-MESOPONE
定義日:2002-01-22
最終更新日:2023-09-23
HKL
HKL
表記:Fe(III) pyropheophorbide-a methyl ester
組成式:C34 H34 Fe N4 O3
SMILES:CCC1=C(C)C2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C6C(=O)CC(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OC)C
InChi:InChI=1S/C34H35N4O3.Fe/c1-8-20-16(3)24-13-26-18(5)22(10-11-31(40)41-7)33(37-26)23-12-30(39)32-19(6)27(38-34(23)32)15-29-21(9-2)17(4)25(36-29)14-28(20)35-24
定義日:2008-01-14
最終更新日:2023-09-23
HNI
HNI
表記:PROTOPORPHYRIN IX CONTAINING NI(II)
組成式:C34 H32 N4 Ni O4
SMILES:CC1=C(CCC(O)=O)C2=Cc3n4[Ni][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C
InChi:InChI=1S/C34H34N4O4.Ni/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
定義日:1999-07-08
最終更新日:2023-09-23
BAZ
BAZ
表記:BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC
組成式:C17 H16 N8 Zn
SMILES:[Zn++].NC(=N)c1ccc2nc(Cc3[nH]c4cc(ccc4n3)C(N)=N)[nH]c2c1
InChi:InChI=1S/C17H16N8.Zn/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15
定義日:1999-07-08
最終更新日:2023-09-23
識別子（ID）:[5-carbamimidoyl-2-[(6-carbamimidoyl-1H-benzoimidazol-2-yl)methyl]-3H-benzoimidazol-1-yl]zinc
BCB
BCB
表記:BACTERIOCHLOROPHYLL B
組成式:C55 H72 Mg N4 O6
SMILES:COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=[N+]5C(=Cc6n7c(C=C8[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C9=[N+]8[Mg]57[N]3C2=C19)c(C)c6C(C)=O)[CH](C)C4=CC
InChi:InChI=1S/C55H73N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3
定義日:1999-07-08
最終更新日:2023-09-23
BCL
BCL
表記:BACTERIOCHLOROPHYLL A
組成式:C55 H74 Mg N4 O6
SMILES:[Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O
InChi:InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3
定義日:1999-07-08
最終更新日:2023-09-23

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon