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
NE9
NE9
表記:2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide
組成式:C22 H29 Cl2 N3 O3
SMILES:ClCC(=O)NC1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1
InChi:InChI=1S/C22H29Cl2N3O3/c23-15-19(28)25-18-13-21(14-18)5-9-27(10-6-21)20(29)22(7-11-30-12-8-22)26-17-3-1-16(24)2-4-17/h1-4,18,26H,5-15H2,(H,25,28)
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide
NF9
NF9
表記:2-chloranyl-N-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide
組成式:C21 H29 Cl2 N3 O3
SMILES:ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3
InChi:InChI=1S/C21H29Cl2N3O3/c22-15-19(27)24-10-5-16-6-11-26(12-7-16)20(28)21(8-13-29-14-9-21)25-18-3-1-17(23)2-4-18/h1-4,16,25H,5-15H2,(H,24,27)
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide
NFC
NFC
表記:NI-FE ACTIVE CENTER A-FORM
組成式:C3 H2 Fe N Ni O4
SMILES:[Ni][O](=O)[Fe](C=O)(C=O)C#N
InChi:InChI=1S/CN.2CHO.Fe.Ni.O2/c3*1-2
定義日:2004-12-17
最終更新日:2023-09-23
識別子（ID）:cyano-dimethanoyl-[nickelio(oxidanylidene)-$l^{4}-oxidanyl]iron
NG9
NG9
表記:2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C24 H35 Cl2 N3 O3
SMILES:CC1(C)CC(CC(C)(C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl
InChi:InChI=1S/C24H35Cl2N3O3/c1-22(2)15-24(16-23(3,4)32-22,28-19-7-5-18(26)6-8-19)21(31)29-11-9-17(10-12-29)14-27-20(30)13-25/h5-8,17,28H,9-16H2,1-4H3,(H,27,30)
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
NIB
NIB
表記:N-[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide
組成式:C22 H29 Cl2 N3 O3
SMILES:ClCC(=O)N1CCC2(CC1)CC(C2)NC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4
InChi:InChI=1S/C22H29Cl2N3O3/c23-15-19(28)27-9-5-21(6-10-27)13-18(14-21)25-20(29)22(7-11-30-12-8-22)26-17-3-1-16(24)2-4-17/h1-4,18,26H,5-15H2,(H,25,29)
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:~{N}-[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide
NJ3
NJ3
表記:2-chloranyl-1-[3-[(2R,6S)-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
組成式:C25 H35 Cl2 N3 O3
SMILES:C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC4(CCN(CC4)C(=O)CCl)CC3
InChi:InChI=1S/C25H35Cl2N3O3/c1-18-15-25(16-19(2)33-18,28-21-5-3-20(27)4-6-21)23(32)30-13-9-24(10-14-30)7-11-29(12-8-24)22(31)17-26/h3-6,18-19,28H,7-17H2,1-2H3/t18-,19+,25+
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:2-chloranyl-1-[3-[(2~{R},6~{S})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
NJC
NJC
表記:(2S,6R)-N-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide
組成式:C25 H35 Cl2 N3 O3
SMILES:C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)NCC3CC4(CCN(CC4)C(=O)CCl)C3
InChi:InChI=1S/C25H35Cl2N3O3/c1-17-11-25(12-18(2)33-17,29-21-5-3-20(27)4-6-21)23(32)28-16-19-13-24(14-19)7-9-30(10-8-24)22(31)15-26/h3-6,17-19,29H,7-16H2,1-2H3,(H,28,32)/t17-,18+,25+
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:(2~{S},6~{R})-~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide
NJI
NJI
表記:2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
組成式:C21 H27 Cl2 N3 O3
SMILES:ClCC(=O)N1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1
InChi:InChI=1S/C21H27Cl2N3O3/c22-13-18(27)26-14-20(15-26)5-9-25(10-6-20)19(28)21(7-11-29-12-8-21)24-17-3-1-16(23)2-4-17/h1-4,24H,5-15H2
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
NJR
NJR
表記:2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide
組成式:C18 H25 Cl2 N3 O2
SMILES:CC(C)(Nc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl
InChi:InChI=1S/C18H25Cl2N3O2/c1-18(2,22-15-5-3-14(20)4-6-15)17(25)23-9-7-13(8-10-23)12-21-16(24)11-19/h3-6,13,22H,7-12H2,1-2H3,(H,21,24)
別名:prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide
NK6
NK6
表記:N-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
組成式:C21 H30 Cl2 N4 O2
SMILES:N[CH]1CC[C](CC1)(Nc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl
InChi:InChI=1S/C21H30Cl2N4O2/c22-13-19(28)25-14-15-7-11-27(12-8-15)20(29)21(9-5-17(24)6-10-21)26-18-3-1-16(23)2-4-18/h1-4,15,17,26H,5-14,24H2,(H,25,28)/t17-,21-
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:~{N}-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
NKL
NKL
表記:2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
組成式:C21 H27 Cl2 N3 O3
SMILES:ClCC(=O)N1CCC2(CC1)CN(C2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4
InChi:InChI=1S/C21H27Cl2N3O3/c22-13-18(27)25-9-5-20(6-10-25)14-26(15-20)19(28)21(7-11-29-12-8-21)24-17-3-1-16(23)2-4-17/h1-4,24H,5-15H2
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
NL1
NL1
表記:1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide
組成式:C15 H19 N5 O2
SMILES:NC(=O)c1cnc2n(CC(=O)NC3CCNCC3)ccc2c1
InChi:InChI=1S/C15H19N5O2/c16-14(22)11-7-10-3-6-20(15(10)18-8-11)9-13(21)19-12-1-4-17-5-2-12/h3,6-8,12,17H,1-2,4-5,9H2,(H2,16,22)(H,19,21)
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-06-14
識別子（ID）:1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide
NLL
NLL
表記:1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide
組成式:C16 H16 N4 O
SMILES:NCc1ccc(Cn2ccc3cc(cnc23)C(N)=O)cc1
InChi:InChI=1S/C16H16N4O/c17-8-11-1-3-12(4-2-11)10-20-6-5-13-7-14(15(18)21)9-19-16(13)20/h1-7,9H,8,10,17H2,(H2,18,21)
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-06-14
識別子（ID）:1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide
NMV
NMV
表記:6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
組成式:C14 H16 N4 O
SMILES:NCc1ccc(CNc2ccc(cn2)C(N)=O)cc1
InChi:InChI=1S/C14H16N4O/c15-7-10-1-3-11(4-2-10)8-17-13-6-5-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18)
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-06-14
識別子（ID）:6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
NN9
NN9
表記:6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
組成式:C14 H16 N4 O
SMILES:NCc1cccc(CNc2ccc(cn2)C(N)=O)c1
InChi:InChI=1S/C14H16N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18)
定義日:2022-08-17
最終更新日:2023-09-23
公開日:2023-06-14
識別子（ID）:6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
OM2
OM2
表記:(R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM
組成式:C22 H27 N2 O5
SMILES:CC[CH](C)NC(=O)c1ccccc1C[NH+](C)Cc2ccc3OCOc3c2C(O)=O
InChi:InChI=1S/C22H26N2O5/c1-4-14(2)23-21(25)17-8-6-5-7-15(17)11-24(3)12-16-9-10-18-20(29-13-28-18)19(16)22(26)27/h5-10,14H,4,11-13H2,1-3H3,(H,23,25)(H,26,27)/p+1/t14-/m0/s1
定義日:2011-07-01
最終更新日:2023-09-23
識別子（ID）:[2-[[(2~{S})-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium
OM3
OM3
表記:(R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM
組成式:C25 H31 N2 O5
SMILES:C[NH+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4OCOc4c3C(O)=O
InChi:InChI=1S/C25H30N2O5/c1-27(15-19-11-12-21-23(32-16-31-21)22(19)25(29)30)14-18-9-5-6-10-20(18)24(28)26-13-17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3,(H,26,28)(H,29,30)/p+1
定義日:2011-07-01
最終更新日:2023-09-23
識別子（ID）:(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium
FLL
FLL
表記:OCTAHEDRAL RU-PYRIDOCARBAZOLE
組成式:C30 H18 Cl F N5 O4 Ru
SMILES:OC1=CC2=C3C(=C4N(C=C(F)C=C4C5=C3C(=O)NC5=O)[Ru](Cl)N(Cc6ccccn6)c7ccccc7)N=C2C=C1.[C-]#[O+]
InChi:InChI=1S/C17H8FN3O3.C12H11N2.CO.ClH.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6
定義日:2009-01-29
最終更新日:2023-09-23
MVO
MVO
表記:2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C20 H27 Cl2 N3 O3
SMILES:ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3
InChi:InChI=1S/C20H27Cl2N3O3/c21-13-18(26)23-14-15-5-9-25(10-6-15)19(27)20(7-11-28-12-8-20)24-17-3-1-16(22)2-4-17/h1-4,15,24H,5-14H2,(H,23,26)
定義日:2022-08-04
最終更新日:2023-09-23
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
MW6
MW6
表記:(3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione
組成式:C12 H14 N2 O2 S
SMILES:Nc1cccc(SC[CH]2CCC(=O)NC2=O)c1
InChi:InChI=1S/C12H14N2O2S/c13-9-2-1-3-10(6-9)17-7-8-4-5-11(15)14-12(8)16/h1-3,6,8H,4-5,7,13H2,(H,14,15,16)/t8-/m1/s1
定義日:2022-08-04
最終更新日:2023-09-23
公開日:2023-01-11
識別子（ID）:(3~{S})-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione
MXI
MXI
表記:4-(2-TERT-BUTYL-4-(6-METHOXYNAPHTHALEN-2-YL)-3H-IMIDAZOL-4-YL)PYRIDIN-2-AMINE
組成式:C23 H24 N4 O
SMILES:COc1ccc2cc(ccc2c1)c3nc([nH]c3c4ccnc(N)c4)C(C)(C)C
InChi:InChI=1S/C23H24N4O/c1-23(2,3)22-26-20(21(27-22)17-9-10-25-19(24)13-17)16-6-5-15-12-18(28-4)8-7-14(15)11-16/h5-13H,1-4H3,(H2,24,25)(H,26,27)
定義日:2011-08-16
最終更新日:2023-09-23
識別子（ID）:4-[2-~{tert}-butyl-4-(6-methoxynaphthalen-2-yl)-1~{H}-imidazol-5-yl]pyridin-2-amine
MXU
MXU
表記:~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
組成式:C24 H35 N5 O7
SMILES:CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O
InChi:InChI=1S/C24H35N5O7/c1-24(2,3)36-23(35)28-15-5-4-10-29(22(15)34)17(11-13-6-7-13)21(33)27-16(18(30)19(25)31)12-14-8-9-26-20(14)32/h4-5,10,13-14,16-18,30H,6-9,11-12H2,1-3H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,35)/t14-,16-,17-,18+/m0/s1
定義日:2022-08-09
最終更新日:2023-09-23
公開日:2023-08-16
識別子（ID）:~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
MYO
MYO
表記:4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid
組成式:C5 H5 N3 O4
SMILES:Nc1c([nH]nc1C(O)=O)C(O)=O
InChi:InChI=1S/C5H5N3O4/c6-1-2(4(9)10)7-8-3(1)5(11)12/h6H2,(H,7,8)(H,9,10)(H,11,12)
定義日:2022-08-09
最終更新日:2023-09-23
公開日:2022-09-07
識別子（ID）:4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid
MZU
MZU
表記:4-azanyl-3-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-1~{H}-pyrazole-5-carboxylic acid
組成式:C9 H14 N3 O9 P
SMILES:Nc1c([nH]nc1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(O)=O
InChi:InChI=1S/C9H14N3O9P/c10-3-4(11-12-5(3)9(15)16)8-7(14)6(13)2(21-8)1-20-22(17,18)19/h2,6-8,13-14H,1,10H2,(H,11,12)(H,15,16)(H2,17,18,19)/t2-,6-,7-,8+/m1/s1
定義日:2022-08-09
最終更新日:2023-09-23
公開日:2022-09-07
識別子（ID）:4-azanyl-3-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-1~{H}-pyrazole-5-carboxylic acid
N0C
N0C
表記:~{N}-[(~{E})-[2-phenyl-6-[[2-[2-(trimethyl-$l^{4}-azanyl)ethanoyl]hydrazinyl]methyl]pyrimidin-4-yl]methylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide
組成式:C22 H34 N8 O2
SMILES:C[N+](C)(C)CC(=O)NNCc1cc(C=NNC(=O)C[N+](C)(C)C)nc(n1)c2ccccc2
InChi:InChI=1S/C22H32N8O2/c1-29(2,3)15-20(31)27-23-13-18-12-19(14-24-28-21(32)16-30(4,5)6)26-22(25-18)17-10-8-7-9-11-17/h7-13H,14-16H2,1-6H3,(H-2,23,24,25,26,27,28,31,32)/p+2
定義日:2022-08-09
最終更新日:2023-09-23
公開日:2023-06-14
識別子（ID）:trimethyl-[2-oxidanylidene-2-[2-[[2-phenyl-6-[(~{E})-[2-(trimethylazaniumyl)ethanoylhydrazinylidene]methyl]pyrimidin-4-yl]methyl]hydrazinyl]ethyl]azanium

224201

件を2024-08-28に公開中

PDB statisticsPDBj update infoContact PDBjnumon