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
2JX
2JX
表記:5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
組成式:C10 H9 N3 O2 S
SMILES:S=C1NN=C(N1)C2Oc3ccccc3OC2
InChi:InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)/t8-/m0/s1
定義日:2013-11-13
最終更新日:2014-09-12
公開日:2014-09-17
識別子（ID）:5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
2Q5
2Q5
表記:(2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol
組成式:C12 H26 O5
SMILES:OC(COC(COC(COC(C)CO)C)C)C
InChi:InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12-/m1/s1
定義日:2014-01-05
最終更新日:2014-09-12
公開日:2014-09-17
識別子（ID）:(2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol
K2Q
K2Q
表記:(1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid
組成式:C10 H12 O5
SMILES:O=C(O)C1=CC2(O)C=CCOC(C1)C2O
InChi:InChI=1S/C10H12O5/c11-8-7-4-6(9(12)13)5-10(8,14)2-1-3-15-7/h1-2,5,7-8,11,14H,3-4H2,(H,12,13)/t7-,8+,10-/m1/s1
定義日:2013-06-02
最終更新日:2014-09-05
公開日:2013-08-07
識別子（ID）:(1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4,7-diene-8-carboxylic acid
TW5
TW5
表記:(R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide
組成式:C33 H30 Cl F N6 O2
SMILES:O=C(Nc1ccncc1)C(NC(=O)c2c(F)cc(cc2)N4CCN(c3ccc(Cl)cc3)CC4)Cc6c5ccccc5nc6
InChi:InChI=1S/C33H30ClFN6O2/c34-23-5-7-25(8-6-23)40-15-17-41(18-16-40)26-9-10-28(29(35)20-26)32(42)39-31(33(43)38-24-11-13-36-14-12-24)19-22-21-37-30-4-2-1-3-27(22)30/h1-14,20-21,31,37H,15-19H2,(H,39,42)(H,36,38,43)/t31-/m1/s1
定義日:2013-08-19
最終更新日:2014-09-05
公開日:2014-09-03
識別子（ID）:Nalpha-{4-[4-(4-chlorophenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide
RU5
RU5
表記:2-[4-(4-CHLOROPHENOXY)PHENYL]-1H-BENZIMIDAZOLE-6-CARBOXAMIDE
組成式:C20 H14 Cl N3 O2
SMILES:Clc4ccc(Oc3ccc(c2nc1ccc(cc1n2)C(=O)N)cc3)cc4
InChi:InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
定義日:2011-11-28
最終更新日:2014-09-05
公開日:2012-10-05
識別子（ID）:2-[4-(4-chlorophenoxy)phenyl]-1H-benzimidazole-6-carboxamide
YSO
YSO
表記:3-AMINO-1H-INDAZOLE-4-CARBONITRILE
組成式:C8 H6 N4
SMILES:N#Cc1cccc2c1c(nn2)N
InChi:InChI=1S/C8H6N4/c9-4-5-2-1-3-6-7(5)8(10)12-11-6/h1-3H,(H3,10,11,12)
定義日:2013-02-04
最終更新日:2014-09-05
公開日:2013-05-22
識別子（ID）:3-amino-1H-indazole-4-carbonitrile
RU9
RU9
表記:2-(4-(3-HYDROXYPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE
組成式:C20 H15 N3 O3
SMILES:O=C(c3ccc4nc(c2ccc(Oc1cccc(O)c1)cc2)nc4c3)N
InChi:InChI=1S/C20H15N3O3/c21-19(25)13-6-9-17-18(10-13)23-20(22-17)12-4-7-15(8-5-12)26-16-3-1-2-14(24)11-16/h1-11,24H,(H2,21,25)(H,22,23)
定義日:2011-11-28
最終更新日:2014-09-05
公開日:2012-10-05
識別子（ID）:2-[4-(3-hydroxyphenoxy)phenyl]-1H-benzimidazole-6-carboxamide
V4Z
V4Z
表記:5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
組成式:C17 H19 Cl F N7 O
SMILES:Fc1ccc(nc1)C(Nc2ncc(Cl)c(n2)Nc3cc(OC(C)C)nn3)C
InChi:InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
定義日:2012-03-28
最終更新日:2014-09-05
識別子（ID）:5-chloro-N~2~-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-N~4~-[3-(propan-2-yloxy)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
P18
P18
表記:3-hydroxy-1-phenylpropan-1-one
組成式:C9 H10 O2
SMILES:O=C(c1ccccc1)CCO
InChi:InChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2
定義日:2012-08-02
最終更新日:2014-09-05
公開日:2013-01-11
識別子（ID）:3-hydroxy-1-phenylpropan-1-one
WHU
WHU
表記:2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide
組成式:C18 H11 Br Cl2 F N5 O2
SMILES:O=C(c1c(Cl)nc(N)n1)NCc3ccc(Br)c(Oc2cc(C#N)cc(Cl)c2)c3F
InChi:InChI=1S/C18H11BrCl2FN5O2/c19-12-2-1-9(7-25-17(28)14-16(21)27-18(24)26-14)13(22)15(12)29-11-4-8(6-23)3-10(20)5-11/h1-5H,7H2,(H,25,28)(H3,24,26,27)
定義日:2012-10-14
最終更新日:2014-09-05
公開日:2013-01-04
識別子（ID）:2-amino-N-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorobenzyl]-4-chloro-1H-imidazole-5-carboxamide
P1F
P1F
表記:2-(2-azanylphenoxy)-5-hexyl-phenol
組成式:C18 H23 N O2
SMILES:O(c1c(N)cccc1)c2ccc(cc2O)CCCCCC
InChi:InChI=1S/C18H23NO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8,19H2,1H3
定義日:2013-05-15
最終更新日:2014-09-05
公開日:2013-06-05
識別子（ID）:2-(2-aminophenoxy)-5-hexylphenol
PV4
PV4
表記:2-phenoxy-5-propyl-phenol
組成式:C15 H16 O2
SMILES:O(c1ccccc1)c2ccc(cc2O)CCC
InChi:InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3
定義日:2013-05-15
最終更新日:2014-09-05
公開日:2013-06-05
識別子（ID）:2-phenoxy-5-propylphenol
NDY
NDY
表記:(1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
組成式:C15 H18 O6
SMILES:O=C(O)C2(O)C=C(C(O)Cc1ccccc1)C(O)C(O)C2
InChi:InChI=1S/C15H18O6/c16-11(6-9-4-2-1-3-5-9)10-7-15(21,14(19)20)8-12(17)13(10)18/h1-5,7,11-13,16-18,21H,6,8H2,(H,19,20)/t11-,12-,13-,15+/m1/s1
定義日:2013-12-17
最終更新日:2014-09-05
公開日:2014-04-16
識別子（ID）:(1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenylethyl]cyclohex-2-ene-1-carboxylic acid
UCK
UCK
表記:(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
組成式:C19 H18 Cl2 N2 O3
SMILES:O=C(c1ccccc1Cl)N3C(C(=O)NCc2ccc(Cl)cc2)CC(O)C3
InChi:InChI=1S/C19H18Cl2N2O3/c20-13-7-5-12(6-8-13)10-22-18(25)17-9-14(24)11-23(17)19(26)15-3-1-2-4-16(15)21/h1-8,14,17,24H,9-11H2,(H,22,25)/t14-,17+/m1/s1
定義日:2012-08-31
最終更新日:2014-09-05
公開日:2012-10-19
識別子（ID）:(4R)-1-(2-chlorobenzoyl)-N-(4-chlorobenzyl)-4-hydroxy-L-prolinamide
VL4
VL4
表記:(2S)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
組成式:C27 H32 N2 O7
SMILES:O=C(NCC1CCC1)c2ccccc2CN(C)Cc4ccc3OC(COc3c4C(=O)O)CCC(=O)O
InChi:InChI=1S/C27H32N2O7/c1-29(14-18-7-2-3-8-21(18)26(32)28-13-17-5-4-6-17)15-19-9-11-22-25(24(19)27(33)34)35-16-20(36-22)10-12-23(30)31/h2-3,7-9,11,17,20H,4-6,10,12-16H2,1H3,(H,28,32)(H,30,31)(H,33,34)/t20-/m0/s1
定義日:2013-11-11
最終更新日:2014-09-05
公開日:2013-11-20
識別子（ID）:(2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclobutylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
5MI
5MI
表記:5-METHYL INDOLE
組成式:C9 H9 N
SMILES:c1c(ccc2c1ccn2)C
InChi:InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
定義日:2012-07-23
最終更新日:2014-09-05
公開日:2013-02-01
識別子（ID）:5-methyl-1H-indole
YU7
YU7
表記:1-[(2-chlorophenyl)methyl]-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide
組成式:C18 H15 Cl N2 O2
SMILES:Clc1ccccc1Cn2cc(c(c2)C(=O)NO)c3ccccc3
InChi:InChI=1S/C18H15ClN2O2/c19-17-9-5-4-8-14(17)10-21-11-15(13-6-2-1-3-7-13)16(12-21)18(22)20-23/h1-9,11-12,23H,10H2,(H,20,22)
定義日:2012-09-27
最終更新日:2014-09-05
公開日:2013-10-16
識別子（ID）:1-(2-chlorobenzyl)-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide
X0B
X0B
表記:5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid
組成式:C31 H29 N5 O3 S2
SMILES:O=C(O)c1nc(sc1CCCOc2ccc(cc2)CN)c3ccc6c(c3)/C(=N/Nc4nc5ccccc5s4)CCC6
InChi:InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+
定義日:2013-02-04
最終更新日:2014-09-05
公開日:2013-04-24
識別子（ID）:5-{3-[4-(aminomethyl)phenoxy]propyl}-2-{(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid
XF5
XF5
表記:4-(PIPERAZIN-1-YL)-1H-INDOLE
組成式:C12 H15 N3
SMILES:c2c1c(cccc1nc2)N3CCNCC3
InChi:InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
定義日:2013-03-01
最終更新日:2014-09-05
公開日:2013-04-03
識別子（ID）:4-(piperazin-1-yl)-1H-indole
P2F
P2F
表記:5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide
組成式:C38 H52 N4 O6 S
SMILES:O=S4(=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNC(c2cccc(OC)c2)(C)C)cc(C(=O)N(CCC)CCC)c3)CCCC4
InChi:InChI=1S/C38H52N4O6S/c1-6-18-41(19-7-2)37(45)30-23-29(24-32(25-30)42-20-11-12-21-49(42,46)47)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)48-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
定義日:2014-01-08
最終更新日:2014-09-05
公開日:2014-06-18
識別子（ID）:5-(1,1-dioxido-1,2-thiazinan-2-yl)-N'-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)propan-2-yl]amino}-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide
X0P
X0P
表記:2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid
組成式:C30 H30 N2 O5
SMILES:O=C(NCc1ccc(OC)cc1)c2cc4c(cc2CN(C)Cc3cccc(OC)c3C(=O)O)cccc4
InChi:InChI=1S/C30H30N2O5/c1-32(18-23-9-6-10-27(37-3)28(23)30(34)35)19-24-15-21-7-4-5-8-22(21)16-26(24)29(33)31-17-20-11-13-25(36-2)14-12-20/h4-16H,17-19H2,1-3H3,(H,31,33)(H,34,35)
定義日:2013-12-07
最終更新日:2014-09-05
公開日:2014-01-08
識別子（ID）:2-methoxy-6-{[({3-[(4-methoxybenzyl)carbamoyl]naphthalen-2-yl}methyl)(methyl)amino]methyl}benzoic acid
X0Q
X0Q
表記:5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
組成式:C13 H9 N5 O2 S2
SMILES:O=S(=O)(c3sc(c2nnn(c1cc(C#N)ccc1)c2)cc3)N
InChi:InChI=1S/C13H9N5O2S2/c14-7-9-2-1-3-10(6-9)18-8-11(16-17-18)12-4-5-13(21-12)22(15,19)20/h1-6,8H,(H2,15,19,20)
定義日:2013-03-15
最終更新日:2014-09-05
公開日:2014-01-22
識別子（ID）:5-[1-(3-cyanophenyl)-1H-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
PW1
PW1
表記:[2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
組成式:C13 H12 F2 N O
SMILES:Fc2c(ccc(F)c2Oc1ccccc1)C[NH3+]
InChi:InChI=1S/C13H11F2NO/c14-11-7-6-9(8-16)12(15)13(11)17-10-4-2-1-3-5-10/h1-7H,8,16H2/p+1
定義日:2012-08-16
最終更新日:2014-09-05
公開日:2012-09-28
識別子（ID）:(2,4-difluoro-3-phenoxyphenyl)methanaminium
X0R
X0R
表記:(R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID
組成式:C29 H25 Br F2 N2 O4 S
SMILES:Brc1ccc(cc1)CSCC(C(=O)O)NC(=O)N(C(=O)c3cccc(C#Cc2ccc(F)cc2F)c3)CCC
InChi:InChI=1S/C29H25BrF2N2O4S/c1-2-14-34(29(38)33-26(28(36)37)18-39-17-20-7-11-23(30)12-8-20)27(35)22-5-3-4-19(15-22)6-9-21-10-13-24(31)16-25(21)32/h3-5,7-8,10-13,15-16,26H,2,14,17-18H2,1H3,(H,33,38)(H,36,37)/t26-/m0/s1
定義日:2013-09-11
最終更新日:2014-09-05
公開日:2014-02-05
識別子（ID）:S-(4-bromobenzyl)-N-[{3-[(2,4-difluorophenyl)ethynyl]benzoyl}(propyl)carbamoyl]-L-cysteine
UDD
UDD
表記:N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
組成式:C23 H20 F6 N4
SMILES:FC(F)(F)c1ccc(cc1)N(c2cccnc2)C4CCN(c3ncc(cc3)C(F)(F)F)CC4
InChi:InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2
定義日:2012-12-14
最終更新日:2014-09-05
公開日:2013-09-25
識別子（ID）:N-[4-(trifluoromethyl)phenyl]-N-{1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}pyridin-3-amine

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon