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
M6Q
M6Q
表記:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide
組成式:C20 H25 N5 O2
SMILES:N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccnc(N)c3
InChi:InChI=1S/C20H25N5O2/c21-16(11-14-5-2-1-3-6-14)20(27)25-10-4-7-17(25)19(26)24-13-15-8-9-23-18(22)12-15/h1-3,5-6,8-9,12,16-17H,4,7,10-11,13,21H2,(H2,22,23)(H,24,26)/t16-,17+/m1/s1
定義日:2019-10-03
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide
JWZ
JWZ
表記:4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide
組成式:C35 H57 N7 O2
SMILES:CN(CCCN1CN(c2ccccc2)[C]3(CCN(CC[CH]4CC[CH]5C[CH]4C5(C)C)CC3)C1=O)CC6(O)CCN(CC6)C(N)=N
InChi:InChI=1S/C35H57N7O2/c1-33(2)28-11-10-27(30(33)24-28)12-19-39-20-15-35(16-21-39)31(43)41(26-42(35)29-8-5-4-6-9-29)18-7-17-38(3)25-34(44)13-22-40(23-14-34)32(36)37/h4-6,8-9,27-28,30,44H,7,10-26H2,1-3H3,(H3,36,37)/t27-,28-,30-/m0/s1
定義日:2019-04-09
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:4-[[3-[8-[2-[(1~{S},2~{S},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethyl]-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]propyl-methyl-amino]methyl]-4-oxidanyl-piperidine-1-carboximidamide
JX5
JX5
表記:(2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid
組成式:C20 H25 I N4 O9
SMILES:OC(=O)CC[CH](NC(=O)NC[CH](NC(=O)CCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
InChi:InChI=1S/C20H25IN4O9/c21-12-5-3-11(4-6-12)17(29)22-9-1-2-15(26)24-14(19(32)33)10-23-20(34)25-13(18(30)31)7-8-16(27)28/h3-6,13-14H,1-2,7-10H2,(H,22,29)(H,24,26)(H,27,28)(H,30,31)(H,32,33)(H2,23,25,34)/t13-,14+/m0/s1
定義日:2019-04-10
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:(2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid
JX8
JX8
表記:5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol
組成式:C10 H7 N5 O
SMILES:Oc1ccc(c2[nH]nnn2)c3cccnc13
InChi:InChI=1S/C10H7N5O/c16-8-4-3-7(10-12-14-15-13-10)6-2-1-5-11-9(6)8/h1-5,16H,(H,12,13,14,15)
定義日:2019-04-10
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol
K0H
K0H
表記:methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoate
組成式:C36 H44 Cl N5 O7
SMILES:CC[CH]1C=C[CH]2CCN([CH]2C(=O)N1CC(=O)OC)C(=O)[CH]3CC[CH]4C=C[C]5(CCCN5C(=O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34
InChi:InChI=1S/C36H44ClN5O7/c1-4-25-11-10-23-15-19-39(31(23)34(47)40(25)21-30(44)49-3)33(46)29-13-12-26-14-17-36(35(48)42(26)29)16-7-18-41(36)32(45)28(38-22(2)43)20-24-8-5-6-9-27(24)37/h5-6,8-11,14,17,23,25-26,28-29,31H,4,7,12-13,15-16,18-21H2,1-3H3,(H,38,43)/t23-,25+,26-,28-,29-,31-,36+/m0/s1
定義日:2019-04-11
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoate
K0K
K0K
表記:2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid
組成式:C35 H42 Cl N5 O7
SMILES:CC[CH]1C=C[CH]2CCN([CH]2C(=O)N1CC(O)=O)C(=O)[CH]3CC[CH]4C=C[C]5(CCCN5C(=O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34
InChi:InChI=1S/C35H42ClN5O7/c1-3-24-10-9-22-14-18-38(30(22)33(47)39(24)20-29(43)44)32(46)28-12-11-25-13-16-35(34(48)41(25)28)15-6-17-40(35)31(45)27(37-21(2)42)19-23-7-4-5-8-26(23)36/h4-5,7-10,13,16,22,24-25,27-28,30H,3,6,11-12,14-15,17-20H2,1-2H3,(H,37,42)(H,43,44)/t22-,24+,25-,27-,28-,30-,35+/m0/s1
定義日:2019-04-11
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid
K0T
K0T
表記:(2~{S})-5-carbamimidamido-2-[[(2~{S})-2-[[(2~{S})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid
組成式:C34 H45 N7 O6 S
SMILES:CN(C)c1cccc2c1cccc2[S](=O)(=O)N3CCCC[CH]3C(=O)N[CH](CCc4ccccc4)C(=O)N[CH](CCCNC(N)=N)C(O)=O
InChi:InChI=1S/C34H45N7O6S/c1-40(2)28-17-8-14-25-24(28)13-9-18-30(25)48(46,47)41-22-7-6-16-29(41)32(43)38-26(20-19-23-11-4-3-5-12-23)31(42)39-27(33(44)45)15-10-21-37-34(35)36/h3-5,8-9,11-14,17-18,26-27,29H,6-7,10,15-16,19-22H2,1-2H3,(H,38,43)(H,39,42)(H,44,45)(H4,35,36,37)/t26-,27-,29-/m0/s1
定義日:2019-04-12
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:(2~{S})-5-carbamimidamido-2-[[(2~{S})-2-[[(2~{S})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid
K1W
K1W
表記:4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
組成式:C18 H21 N3 O3 S
SMILES:N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCNC[CH]2Cc3ccccc3
InChi:InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-13-16(21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
定義日:2019-04-16
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
K1Z
K1Z
表記:[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
組成式:C23 H27 N10 O11 P
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O[P](O)(O)=O)[CH](O)[CH]3O
InChi:InChI=1S/C23H27N10O11P/c24-18-12-20(28-6-26-18)32(8-30-12)22-16(37)14(35)10(43-22)5-41-3-1-2-11-31-13-19(25)27-7-29-21(13)33(11)23-17(44-45(38,39)40)15(36)9(4-34)42-23/h6-10,14-17,22-23,34-37H,3-5H2,(H2,24,26,28)(H2,25,27,29)(H2,38,39,40)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1
定義日:2019-04-16
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
K28
K28
表記:[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
組成式:C24 H30 N11 O10 P
SMILES:CN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(O)=O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:InChI=1S/C24H30N11O10P/c1-33(5-10-15(37)17(39)23(43-10)34-9-31-13-19(25)27-7-29-21(13)34)4-2-3-12-32-14-20(26)28-8-30-22(14)35(12)24-18(45-46(40,41)42)16(38)11(6-36)44-24/h7-11,15-18,23-24,36-39H,4-6H2,1H3,(H2,25,27,29)(H2,26,28,30)(H2,40,41,42)/t10-,11-,15-,16-,17-,18-,23-,24-/m1/s1
定義日:2019-04-16
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
K45
K45
表記:4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
組成式:C19 H23 N3 O3 S
SMILES:CN1CCN(C[CH]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O
InChi:InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m0/s1
定義日:2019-04-18
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
K4B
K4B
表記:4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide
組成式:C17 H19 N3 O3 S
SMILES:N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(C2)Cc3ccccc3
InChi:InChI=1S/C17H19N3O3S/c18-24(22,23)16-8-6-15(7-9-16)17(21)20-11-10-19(13-20)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,18,22,23)
定義日:2019-04-22
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide
K4H
K4H
表記:4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide
組成式:C19 H23 N3 O3 S
SMILES:N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCCN(CC2)Cc3ccccc3
InChi:InChI=1S/C19H23N3O3S/c20-26(24,25)18-9-7-17(8-10-18)19(23)22-12-4-11-21(13-14-22)15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H2,20,24,25)
定義日:2019-04-22
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide
AF7
AF7
表記:(3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid
組成式:C32 H48 O5
SMILES:C45C(C3C(C=C2C1C(C)C(CCC1(C)CCC2(C)C3(C)CC4)C)=O)(C)CCC(C5(C)C(O)=O)OC(=O)C
InChi:InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
定義日:2017-07-14
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:(3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid
K4N
K4N
表記:4-oxidanylbenzenesulfonamide
組成式:C6 H7 N O3 S
SMILES:N[S](=O)(=O)c1ccc(O)cc1
InChi:InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)
定義日:2019-04-24
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:4-oxidanylbenzenesulfonamide
CN0
CN0
表記:(2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid
組成式:C6 H11 N O5
SMILES:O[CH]1CN[CH]([CH](O)[CH]1O)C(O)=O
InChi:InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4+,5+/m0/s1
定義日:2019-05-09
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:(2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid
CW6
CW6
表記:2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
組成式:C15 H15 F O2
SMILES:CC(C)(c1ccc(O)cc1)c2ccc(O)c(F)c2
InChi:InChI=1S/C15H15FO2/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,17-18H,1-2H3
定義日:2019-05-22
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
T1R
T1R
表記:(1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
組成式:C30 H40 N2 O8 S
SMILES:c1c(ccc(c1)OC)S(=O)(N(CC(C)C)CC(O)C(NC(OC3C4CC2C(OCC2C3)O4)=O)Cc5ccccc5)=O
InChi:InChI=1S/C30H40N2O8S/c1-19(2)16-32(41(35,36)23-11-9-22(37-3)10-12-23)17-26(33)25(13-20-7-5-4-6-8-20)31-30(34)40-27-14-21-18-38-29-24(21)15-28(27)39-29/h4-12,19,21,24-29,33H,13-18H2,1-3H3,(H,31,34)/t21-,24-,25+,26-,27-,28+,29-/m1/s1
定義日:2020-01-31
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:(1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
T2R
T2R
表記:(1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate
組成式:C33 H44 N4 O8 S
SMILES:c1(NC(C)C)oc2c(n1)ccc(c2)S(=O)(N(CC(O)C(NC(OC4CC3C5C(OC3)OC4C5)=O)Cc6ccccc6)CC(C)C)=O
InChi:InChI=1S/C33H44N4O8S/c1-19(2)16-37(46(40,41)23-10-11-25-28(14-23)44-32(35-25)34-20(3)4)17-27(38)26(12-21-8-6-5-7-9-21)36-33(39)45-29-13-22-18-42-31-24(22)15-30(29)43-31/h5-11,14,19-20,22,24,26-27,29-31,38H,12-13,15-18H2,1-4H3,(H,34,35)(H,36,39)/t22-,24-,26-,27+,29-,30+,31-/m0/s1
定義日:2020-01-31
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:(1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate
DLX
DLX
表記:2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione
組成式:C45 H66 O2
SMILES:CC(C)CCC[CH](C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(=O)c2ccccc2C1=O
InChi:InChI=1S/C45H66O2/c1-34(2)17-11-18-35(3)19-12-20-36(4)21-13-22-37(5)23-14-24-38(6)25-15-26-39(7)27-16-28-40(8)31-32-41-33-44(46)42-29-9-10-30-43(42)45(41)47/h9-10,21,23,25,27,29-31,33-35H,11-20,22,24,26,28,32H2,1-8H3/b36-21-,37-23-,38-25-,39-27+,40-31+/t35-/m1/s1
定義日:2019-08-15
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione
EW0
EW0
表記:7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide
組成式:C24 H22 Cl N3 O5 S
SMILES:COc1ccc(cc1)[S](=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C
InChi:InChI=1S/C24H22ClN3O5S/c1-28-22(24(29)27-34(30,31)18-9-7-16(32-2)8-10-18)14-19-21(12-11-20(25)23(19)28)26-15-5-4-6-17(13-15)33-3/h4-14,26H,1-3H3,(H,27,29)
定義日:2020-02-07
最終更新日:2020-05-08
公開日:2020-05-13
識別子（ID）:7-chloranyl-4-[(3-methoxyphenyl)amino]-~{N}-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide
23T
23T
表記:2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE
組成式:C10 H17 N2 O13 P3
SMILES:CC1=CN([CH]2CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
InChi:InChI=1S/C10H17N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
定義日:2006-07-11
最終更新日:2020-05-02
識別子（ID）:(hydroxy-phosphonooxy-phosphoryl) [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
OAV
OAV
表記:2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
組成式:C23 H24 N4 O2
SMILES:c3(cc(Oc2ccc(CC(N(CC)CCn1cccn1)=O)cc2)ccc3C#N)C
InChi:InChI=1S/C23H24N4O2/c1-3-26(13-14-27-12-4-11-25-27)23(28)16-19-5-8-21(9-6-19)29-22-10-7-20(17-24)18(2)15-22/h4-12,15H,3,13-14,16H2,1-2H3
定義日:2019-06-19
最終更新日:2020-05-01
公開日:2020-05-06
識別子（ID）:2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
PQH
PQH
表記:2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid
組成式:C7 H6 F3 N O2
SMILES:Cc1[nH]c(cc1C(O)=O)C(F)(F)F
InChi:InChI=1S/C7H6F3NO2/c1-3-4(6(12)13)2-5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13)
定義日:2020-04-27
最終更新日:2020-05-01
公開日:2020-05-06
識別子（ID）:2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid
PQK
PQK
表記:1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid
組成式:C10 H13 N O2
SMILES:Cc1cc(C(O)=O)c(C)n1C2CC2
InChi:InChI=1S/C10H13NO2/c1-6-5-9(10(12)13)7(2)11(6)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,12,13)
定義日:2020-04-27
最終更新日:2020-05-01
公開日:2020-05-06
識別子（ID）:1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid

238582

件を2025-07-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon