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
L4H
L4H
表記:farnesyl dihydroxybenzoate
組成式:C22 H30 O4
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O
InChi:InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9+,17-11+
定義日:2019-07-19
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:3,4-bis(oxidanyl)-5-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
OSZ
OSZ
表記:5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
組成式:C32 H41 N7 O3
SMILES:Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)N4CCNCC4)c5ccccc5
InChi:InChI=1S/C32H41N7O3/c33-29-27(22-36-39(29)26-9-5-2-6-10-26)31(41)35-21-24-11-14-25(15-12-24)30(40)37-28(16-13-23-7-3-1-4-8-23)32(42)38-19-17-34-18-20-38/h2,5-6,9-12,14-15,22-23,28,34H,1,3-4,7-8,13,16-21,33H2,(H,35,41)(H,37,40)/t28-/m0/s1
定義日:2020-04-03
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
OUQ
OUQ
表記:(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
組成式:C12 H16 F N O
SMILES:CC1(C)CO[CH](CN1)c2cccc(F)c2
InChi:InChI=1S/C12H16FNO/c1-12(2)8-15-11(7-14-12)9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1
定義日:2020-04-06
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
OUW
OUW
表記:~{N}-methyl-4-(methylamino)pyridine-2-carboxamide
組成式:C8 H11 N3 O
SMILES:CNC(=O)c1cc(NC)ccn1
InChi:InChI=1S/C8H11N3O/c1-9-6-3-4-11-7(5-6)8(12)10-2/h3-5H,1-2H3,(H,9,11)(H,10,12)
定義日:2020-04-06
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:~{N}-methyl-4-(methylamino)pyridine-2-carboxamide
OUZ
OUZ
表記:~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
組成式:C15 H24 N2 O
SMILES:CCNCCN1C[CH](OC[CH]1C)c2ccccc2
InChi:InChI=1S/C15H24N2O/c1-3-16-9-10-17-11-15(18-12-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3/t13-,15-/m1/s1
定義日:2020-04-06
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
OW8
OW8
表記:~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
組成式:C8 H11 N3 O
SMILES:CNC(=O)c1n[nH]c2CCCc12
InChi:InChI=1S/C8H11N3O/c1-9-8(12)7-5-3-2-4-6(5)10-11-7/h2-4H2,1H3,(H,9,12)(H,10,11)
定義日:2020-04-06
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
OWH
OWH
表記:~{N}-methylpyridine-3-carbothioamide
組成式:C7 H8 N2 S
SMILES:CNC(=S)c1cccnc1
InChi:InChI=1S/C7H8N2S/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
定義日:2020-04-06
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:~{N}-methylpyridine-3-carbothioamide
N9W
N9W
表記:4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide
組成式:C20 H21 N3 O2
SMILES:CN1CCc2n(Cc3ccc(cc3)C(=O)NO)c4ccccc4c2C1
InChi:InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
定義日:2019-11-21
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide
QLQ
QLQ
表記:~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
組成式:C40 H49 N11 O5
SMILES:Cc1cc(C[CH](NC(=O)N2CCC3(CC2)OC(=O)Nc4ncccc34)C(=O)N[CH](CC5CCNCC5)C(=O)N6CCN(CC6)c7ccncc7)cc8c[nH]nc18
InChi:InChI=1S/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/m1/s1
定義日:2020-06-24
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
QWY
QWY
表記:3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
組成式:C21 H19 N5 O S2
SMILES:c1ccccc1c2sc(nn2)NC(=O)c5sc3c(cc4c(n3)CCCCC4)c5N
InChi:InChI=1S/C21H19N5OS2/c22-16-14-11-13-9-5-2-6-10-15(13)23-20(14)28-17(16)18(27)24-21-26-25-19(29-21)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10,22H2,(H,24,26,27)
定義日:2020-01-09
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
KHC
KHC
表記:(4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile
組成式:C17 H16 Cl2 N4 O
SMILES:Cn1c2c(Cl)c(Cl)ccc2c3[CH](C#N)C4(CCNCC4)NC(=O)c13
InChi:InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)/t10-/m0/s1
定義日:2020-04-24
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile
KM5
KM5
表記:methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate
組成式:C23 H28 N8 O3
SMILES:CCN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC
InChi:InChI=1S/C23H28N8O3/c1-3-30(13-16-12-26-20-18(27-16)19(24)28-23(25)29-20)17-6-4-14(5-7-17)21(32)31-10-8-15(9-11-31)22(33)34-2/h4-7,12,15H,3,8-11,13H2,1-2H3,(H4,24,25,26,28,29)
定義日:2019-06-07
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate
KMK
KMK
表記:methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
組成式:C24 H30 N8 O4
SMILES:COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4nc(N)nc(N)c4n3
InChi:InChI=1S/C24H30N8O4/c1-36-23(35)16-7-10-31(11-8-16)22(34)15-3-5-18(6-4-15)32(9-2-12-33)14-17-13-27-21-19(28-17)20(25)29-24(26)30-21/h3-6,13,16,33H,2,7-12,14H2,1H3,(H4,25,26,27,29,30)
定義日:2019-06-07
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
KMW
KMW
表記:3-(4-aminocarbonylphenoxy)benzamide
組成式:C14 H12 N2 O3
SMILES:NC(=O)c1ccc(Oc2cccc(c2)C(N)=O)cc1
InChi:InChI=1S/C14H12N2O3/c15-13(17)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
定義日:2019-06-10
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:3-(4-aminocarbonylphenoxy)benzamide
QBV
QBV
表記:(2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid
組成式:C9 H7 Br O3
SMILES:C([C@H]=Cc1ccc(c(c1)Br)O)(O)=O
InChi:InChI=1S/C9H7BrO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+
定義日:2019-10-11
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid
QD2
QD2
表記:4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
組成式:C22 H29 N5 O5 S
SMILES:CN[S](=O)(=O)c1cc(cnc1OC)N2CCOc3ccc(cc23)C(=O)NC4CCN(C)CC4
InChi:InChI=1S/C22H29N5O5S/c1-23-33(29,30)20-13-17(14-24-22(20)31-3)27-10-11-32-19-5-4-15(12-18(19)27)21(28)25-16-6-8-26(2)9-7-16/h4-5,12-14,16,23H,6-11H2,1-3H3,(H,25,28)
定義日:2020-06-08
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
QGM
QGM
表記:(2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
組成式:C17 H15 Cl2 N3 O3
SMILES:N1c3c(C(CC1C(O)=O)NC(Nc2ccccc2)=O)c(cc(c3)Cl)Cl
InChi:InChI=1S/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)/t13-,14+/m0/s1
定義日:2019-10-29
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
QGP
QGP
表記:(2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid
組成式:C16 H16 Cl2 N O6 P
SMILES:c2(c(CP(O)(=O)O)cc(c1c(cc(Cl)cc1)Cl)cc2CC(N)C(O)=O)O
InChi:InChI=1S/C16H16Cl2NO6P/c17-11-1-2-12(13(18)6-11)8-3-9(5-14(19)16(21)22)15(20)10(4-8)7-26(23,24)25/h1-4,6,14,20H,5,7,19H2,(H,21,22)(H2,23,24,25)/t14-/m0/s1
定義日:2019-10-29
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid (non-preferred name)
RJY
RJY
表記:ethyl 2-methyl-1,3-thiazole-4-carboxylate
組成式:C7 H9 N O2 S
SMILES:Cc1scc(C(=O)OCC)n1
InChi:InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3
定義日:2020-02-13
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:ethyl 2-methyl-1,3-thiazole-4-carboxylate
RK4
RK4
表記:3-[(piperidin-1-yl)methyl]benzoic acid
組成式:C13 H17 N O2
SMILES:C1CCN(CC1)Cc2cccc(C(=O)O)c2
InChi:InChI=1S/C13H17NO2/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16)
定義日:2020-02-13
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:3-[(piperidin-1-yl)methyl]benzoic acid
RKV
RKV
表記:3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
組成式:C9 H8 N2 O3
SMILES:c1c(n(nc1c2ccco2)C)C(O)=O
InChi:InChI=1S/C9H8N2O3/c1-11-7(9(12)13)5-6(10-11)8-3-2-4-14-8/h2-5H,1H3,(H,12,13)
定義日:2020-02-13
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
RKY
RKY
表記:4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
組成式:C13 H14 O5
SMILES:c1cc(C(CCC(O)=O)=O)cc2c1OCCCO2
InChi:InChI=1S/C13H14O5/c14-10(3-5-13(15)16)9-2-4-11-12(8-9)18-7-1-6-17-11/h2,4,8H,1,3,5-7H2,(H,15,16)
定義日:2020-02-13
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
RPJ
RPJ
表記:1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid
組成式:C21 H18 F N3 O3
SMILES:c4cc(n1c(c(C(O)=O)cn1)OCCCc2cnc3ccccc23)ccc4F
InChi:InChI=1S/C21H18FN3O3/c22-15-7-9-16(10-8-15)25-20(18(13-24-25)21(26)27)28-11-3-4-14-12-23-19-6-2-1-5-17(14)19/h1-2,5-10,12-13,23H,3-4,11H2,(H,26,27)
定義日:2020-02-20
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid
RPM
RPM
表記:5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
組成式:C22 H21 N3 O3
SMILES:C(COc2n(c1ccccc1)ncc2C(O)=O)Cc4cnc3ccc(cc34)C
InChi:InChI=1S/C22H21N3O3/c1-15-9-10-20-18(12-15)16(13-23-20)6-5-11-28-21-19(22(26)27)14-24-25(21)17-7-3-2-4-8-17/h2-4,7-10,12-14,23H,5-6,11H2,1H3,(H,26,27)
定義日:2020-02-20
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
RPV
RPV
表記:5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid
組成式:C21 H18 N4 O3
SMILES:c1cc(ccc1)n2ncc(C(O)=O)c2NC(CCc4c3c(cccc3)nc4)=O
InChi:InChI=1S/C21H18N4O3/c26-19(11-10-14-12-22-18-9-5-4-8-16(14)18)24-20-17(21(27)28)13-23-25(20)15-6-2-1-3-7-15/h1-9,12-13,22H,10-11H2,(H,24,26)(H,27,28)
定義日:2020-02-20
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid

224572

件を2024-09-04に公開中

PDB statisticsPDBj update infoContact PDBjnumon