Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
A1I9Z
A1I9Z
表記:5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
組成式:C34 H35 Cl N4 O2
SMILES:OC(=O)c1ccc2c(c1)nc(NCCCCCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25
InChi:InChI=1S/C34H35ClN4O2/c35-31-20-24(12-14-27(31)25-10-6-5-7-11-25)22-36-17-8-3-1-2-4-9-18-38-33-29-16-19-37-23-30(29)28-15-13-26(34(40)41)21-32(28)39-33/h5-7,10-16,19-21,23,36H,1-4,8-9,17-18,22H2,(H,38,39)(H,40,41)
定義日:2025-04-07
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
S4I
S4I
表記:1-[(4-chlorophenyl)methyl]-3,4-dihydroxy-1,5-dihydro-2H-pyrrol-2-one
組成式:C11 H10 Cl N O3
SMILES:Clc1ccc(CN2CC(O)=C(O)C2=O)cc1
InChi:InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)5-13-6-9(14)10(15)11(13)16/h1-4,14-15H,5-6H2
定義日:2023-05-09
最終更新日:2025-07-25
公開日:2023-06-14
識別子（ID）:1-[(4-chlorophenyl)methyl]-3,4-dihydroxy-1,5-dihydro-2H-pyrrol-2-one
W7U
W7U
表記:3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol
組成式:C11 H11 Cl N2 O S
SMILES:Cn1nc(CSc2ccc(Cl)cc2)cc1O
InChi:InChI=1S/C11H11ClN2OS/c1-14-11(15)6-9(13-14)7-16-10-4-2-8(12)3-5-10/h2-6,15H,7H2,1H3
定義日:2023-05-09
最終更新日:2025-07-25
公開日:2023-06-14
識別子（ID）:3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol
W8H
W8H
表記:(2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid
組成式:C19 H21 Cl O2 S2
SMILES:Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O)O)cc1
InChi:InChI=1S/C19H21ClO2S2/c1-14-5-9-17(10-6-14)24-18(19(21)22)4-2-3-13-23-16-11-7-15(20)8-12-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)/t18-/m0/s1
定義日:2023-05-09
最終更新日:2025-07-25
公開日:2023-06-14
識別子（ID）:(2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid
W9W
W9W
表記:2-[(3-phenylthiophen-2-yl)carbamoyl]cyclopent-1-ene-1-carboxylic acid
組成式:C17 H15 N O3 S
SMILES:O=C(O)C=1CCCC=1C(=O)Nc1sccc1c1ccccc1
InChi:InChI=1S/C17H15NO3S/c19-15(13-7-4-8-14(13)17(20)21)18-16-12(9-10-22-16)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,18,19)(H,20,21)
定義日:2023-05-09
最終更新日:2025-07-25
公開日:2023-06-14
識別子（ID）:2-[(3-phenylthiophen-2-yl)carbamoyl]cyclopent-1-ene-1-carboxylic acid
VI0
VI0
表記:10-phenyl-5H-pyrimido[4,5-c][2]benzazepin-2-amine
組成式:C18 H14 N4
SMILES:Nc1nc2N=C(c3ccccc3Cc2cn1)c1ccccc1
InChi:InChI=1S/C18H14N4/c19-18-20-11-14-10-13-8-4-5-9-15(13)16(21-17(14)22-18)12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,19,20,22)
定義日:2023-05-09
最終更新日:2025-07-25
公開日:2023-06-14
識別子（ID）:10-phenyl-5H-pyrimido[4,5-c][2]benzazepin-2-amine
WFO
WFO
表記:(2S)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
組成式:C17 H16 N2 O3 S
SMILES:O=C(O)C(CC)N1C=Nc2sc(C)c(c2C1=O)c1ccccc1
InChi:InChI=1S/C17H16N2O3S/c1-3-12(17(21)22)19-9-18-15-14(16(19)20)13(10(2)23-15)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3,(H,21,22)/t12-/m0/s1
定義日:2023-05-12
最終更新日:2025-07-25
公開日:2023-06-14
識別子（ID）:(2S)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
R80
R80
表記:6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazine-1,1,3(2H,6H)-trione
組成式:C11 H10 Cl2 N2 O3 S
SMILES:O=C1C=C(C)N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1
InChi:InChI=1S/C11H10Cl2N2O3S/c1-7-4-11(16)14-19(17,18)15(7)6-8-2-3-9(12)10(13)5-8/h2-5H,6H2,1H3,(H,14,16)
定義日:2023-05-08
最終更新日:2025-07-25
公開日:2023-06-14
識別子（ID）:6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazine-1,1,3(2H,6H)-trione
A1IIB
A1IIB
表記:methyl 1H-imidazole-5-carboxylate
組成式:C5 H6 N2 O2
SMILES:COC(=O)c1[nH]cnc1
InChi:InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)
別名:(4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN
定義日:2024-07-16
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:methyl 1~{H}-imidazole-5-carboxylate
A1IIE
A1IIE
表記:8-[3-chloranyl-4-[(~{E})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
組成式:C28 H24 Cl2 N6 O4
SMILES:CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(Cl)c4)nc12
InChi:InChI=1S/C28H24Cl2N6O4/c1-34-25-24(26(38)35(28(34)39)14-5-15-37)36(17-18-8-10-19(29)11-9-18)27(31-25)40-21-12-13-23(22(30)16-21)33-32-20-6-3-2-4-7-20/h2-4,6-13,16,37H,5,14-15,17H2,1H3/b33-32+
定義日:2024-07-17
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:8-[3-chloranyl-4-[(~{E})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
A1IIF
A1IIF
表記:8-[3-chloranyl-4-[(~{Z})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
組成式:C28 H24 Cl2 N6 O4
SMILES:CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(Cl)c4)nc12
InChi:InChI=1S/C28H24Cl2N6O4/c1-34-25-24(26(38)35(28(34)39)14-5-15-37)36(17-18-8-10-19(29)11-9-18)27(31-25)40-21-12-13-23(22(30)16-21)33-32-20-6-3-2-4-7-20/h2-4,6-13,16,37H,5,14-15,17H2,1H3/b33-32-
定義日:2024-07-17
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:8-[3-chloranyl-4-[(~{Z})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
A1IIQ
A1IIQ
表記:4-ethyl-2,5-dimethyl-pyrazol-3-amine
組成式:C7 H13 N3
SMILES:CCc1c(C)nn(C)c1N
InChi:InChI=1S/C7H13N3/c1-4-6-5(2)9-10(3)7(6)8/h4,8H2,1-3H3
定義日:2024-07-18
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:4-ethyl-2,5-dimethyl-pyrazol-3-amine
A1IIR
A1IIR
表記:furan-2-yl(piperazin-1-yl)methanone
組成式:
SMILES:O=C(N1CCNCC1)c2occc2
InChi:InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
定義日:2024-07-18
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:furan-2-yl(piperazin-1-yl)methanone
A1IIV
A1IIV
表記:1-[(~{Z})-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
組成式:C10 H6 Cl3 N3
SMILES:Clc1ccc(C(Cl)=Cn2cncn2)c(Cl)c1
InChi:InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-
定義日:2024-07-23
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:1-[(~{Z})-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
A1IIW
A1IIW
表記:(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(2-chloroethyloxy)-2-(hydroxymethyl)-5-[4-[(imidazolidin-2-ylideneamino)methyl]-1,2,3-triazol-1-yl]oxane-3,4-diol
組成式:C14 H23 Cl N6 O5
SMILES:OC[CH]1O[CH](OCCCl)[CH]([CH](O)[CH]1O)n2cc(CN=C3NCCN3)nn2
InChi:InChI=1S/C14H23ClN6O5/c15-1-4-25-13-10(12(24)11(23)9(7-22)26-13)21-6-8(19-20-21)5-18-14-16-2-3-17-14/h6,9-13,22-24H,1-5,7H2,(H2,16,17,18)/t9-,10+,11-,12-,13+/m1/s1
定義日:2024-07-24
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(2-chloroethyloxy)-2-(hydroxymethyl)-5-[4-[(imidazolidin-2-ylideneamino)methyl]-1,2,3-triazol-1-yl]oxane-3,4-diol
A1IKB
A1IKB
表記:5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
組成式:C21 H24 N4 O4
SMILES:ONC(=O)CCCCCCCNc1nc2cc(ccc2c3cnccc13)C(O)=O
InChi:InChI=1S/C21H24N4O4/c26-19(25-29)6-4-2-1-3-5-10-23-20-16-9-11-22-13-17(16)15-8-7-14(21(27)28)12-18(15)24-20/h7-9,11-13,29H,1-6,10H2,(H,23,24)(H,25,26)(H,27,28)
別名:5-[[8-(hydroxyamino)-8-oxooctyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
定義日:2024-08-06
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
A1IVQ
A1IVQ
表記:[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
組成式:C27 H35 N3 O4 S
SMILES:CC(C)Cc1ccc(cc1)[S](=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4ccccc34
InChi:InChI=1S/C27H35N3O4S/c1-20(2)17-21-7-9-23(10-8-21)35(32,33)29-13-16-30-14-11-22(12-15-30)19-34-27(31)25-18-28-26-6-4-3-5-24(25)26/h3-10,18,20,22,28-29H,11-17,19H2,1-2H3
定義日:2024-12-03
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
A1IVR
A1IVR
表記:2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide
組成式:C10 H9 Cl N2 O
SMILES:NC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChi:InChI=1S/C10H9ClN2O/c11-7-1-2-9-8(4-7)6(5-13-9)3-10(12)14/h1-2,4-5,13H,3H2,(H2,12,14)
定義日:2024-12-04
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide
A1IVT
A1IVT
表記:2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid
組成式:C10 H8 Cl N O2
SMILES:OC(=O)Cc1c[nH]c2cc(Cl)ccc12
InChi:InChI=1S/C10H8ClNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14)
定義日:2024-12-05
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid
A1JC3
A1JC3
表記:N-(2-methoxyethyl)-N-[[(3R)-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide
組成式:C26 H32 N2 O3 S
SMILES:COCCN(C[CH]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
InChi:InChI=1S/C26H32N2O3S/c1-31-17-16-28(32(29,30)26-14-13-24-11-5-6-12-25(24)18-26)21-23-10-7-15-27(20-23)19-22-8-3-2-4-9-22/h2-6,8-9,11-14,18,23H,7,10,15-17,19-21H2,1H3/t23-/m1/s1
別名:N-([(3R)-1-benzylpiperidin-3-yl]methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide
定義日:2025-05-10
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:~{N}-(2-methoxyethyl)-~{N}-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide
A1L4O
A1L4O
表記:(3~{S},4~{Z},6~{E},8~{Z},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol
組成式:C40 H56 O3
SMILES:CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC=C(C)C=C[CH](O)C(C)(C)O
InChi:InChI=1S/C40H56O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-27-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-26-37-35(6)28-36(41)29-39(37,7)8/h11-27,36,38,41-43H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15-,26-24+,27-25-,30-16+,31-17+,32-20+,33-22+,34-23+/t36-,38+/m1/s1
定義日:2024-10-03
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:(3~{S},4~{Z},6~{E},8~{Z},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol
A1MAM
A1MAM
表記:(2~{R})-~{N}-[5-(5-cyano-6-propan-2-yloxy-pyridin-3-yl)-1-(trifluoromethyl)pyrazol-3-yl]-1-ethanoyl-4-propan-2-ylsulfonyl-piperazine-2-carboxamide
組成式:C23 H28 F3 N7 O5 S
SMILES:CC(C)Oc1ncc(cc1C#N)c2cc(NC(=O)[CH]3CN(CCN3C(C)=O)[S](=O)(=O)C(C)C)nn2C(F)(F)F
InChi:InChI=1S/C23H28F3N7O5S/c1-13(2)38-22-16(10-27)8-17(11-28-22)18-9-20(30-33(18)23(24,25)26)29-21(35)19-12-31(39(36,37)14(3)4)6-7-32(19)15(5)34/h8-9,11,13-14,19H,6-7,12H2,1-5H3,(H,29,30,35)/t19-/m1/s1
定義日:2025-07-03
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:(2~{R})-~{N}-[5-(5-cyano-6-propan-2-yloxy-pyridin-3-yl)-1-(trifluoromethyl)pyrazol-3-yl]-1-ethanoyl-4-propan-2-ylsulfonyl-piperazine-2-carboxamide
DY0
DY0
表記:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
組成式:C17 H27 N5 O16 P2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
InChi:InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17+/m1/s1
定義日:2019-09-18
最終更新日:2025-07-25
公開日:2025-07-30
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
IAY
IAY
表記:4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine
組成式:C21 H22 N4 O
SMILES:Cn1cc(nc1/C=C/c1nc(ccc1)N1CCOCC1)c1ccccc1
InChi:InChI=1S/C21H22N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-11,16H,12-15H2,1H3/b11-10+
定義日:2022-01-25
最終更新日:2025-07-25
公開日:2022-10-12
識別子（ID）:4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine
IHV
IHV
表記:2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]pyrazine
組成式:C19 H22 N4
SMILES:Cn1cc(nc1CCc1nc(C)c(C)nc1C)c1ccccc1
InChi:InChI=1S/C19H22N4/c1-13-14(2)21-17(15(3)20-13)10-11-19-22-18(12-23(19)4)16-8-6-5-7-9-16/h5-9,12H,10-11H2,1-4H3
定義日:2022-01-25
最終更新日:2025-07-25
公開日:2022-10-12
識別子（ID）:2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]pyrazine

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon