Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
O2K
O2K
Name:~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide
Formula:C29 H30 N4 O5
SMILES:CCC(=O)NCc1cc(C)cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)ccc34)cc2OC)c1
InChi:InChI=1S/C29H30N4O5/c1-5-28(34)32-16-19-10-18(2)11-20(12-19)33-29(35)15-25-27(37-4)14-22(17-31-25)38-26-8-9-30-24-13-21(36-3)6-7-23(24)26/h6-14,17H,5,15-16H2,1-4H3,(H,32,34)(H,33,35)
Definition date:2020-01-21
Last modified:2020-05-22
Release date:2020-05-27
Identifier:~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide
O35
O35
Name:~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Formula:C28 H30 N4 O4
SMILES:COc1ccc2c(Oc3cnc(CC(=O)Nc4cc(C)cc(CN(C)C)c4)c(OC)c3)ccnc2c1
InChi:InChI=1S/C28H30N4O4/c1-18-10-19(17-32(2)3)12-20(11-18)31-28(33)15-25-27(35-5)14-22(16-30-25)36-26-8-9-29-24-13-21(34-4)6-7-23(24)26/h6-14,16H,15,17H2,1-5H3,(H,31,33)
Definition date:2020-01-21
Last modified:2020-05-22
Release date:2020-05-27
Identifier:~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
O3E
O3E
Name:~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Formula:C31 H28 N4 O5
SMILES:COc1ccc2c(Oc3cnc(CC(=O)Nc4ccc5N=C(OC(C)(C)c5c4)C#CC)c(OC)c3)ccnc2c1
InChi:InChI=1S/C31H28N4O5/c1-6-7-30-35-24-11-8-19(14-23(24)31(2,3)40-30)34-29(36)17-26-28(38-5)16-21(18-33-26)39-27-12-13-32-25-15-20(37-4)9-10-22(25)27/h8-16,18H,17H2,1-5H3,(H,34,36)
Definition date:2020-01-22
Last modified:2020-05-22
Release date:2020-05-27
Identifier:~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
H88
H88
Name:~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
Formula:C29 H26 N4 O5 S
SMILES:Cc1ccc(cc1NC(=O)CCO)N2C(=O)C=Cc3cnc4cc(ccc4c23)c5ccc(N[S](C)(=O)=O)cc5
InChi:InChI=1S/C29H26N4O5S/c1-18-3-10-23(16-25(18)31-27(35)13-14-34)33-28(36)12-7-21-17-30-26-15-20(6-11-24(26)29(21)33)19-4-8-22(9-5-19)32-39(2,37)38/h3-12,15-17,32,34H,13-14H2,1-2H3,(H,31,35)
Definition date:2018-11-23
Last modified:2020-05-22
Release date:2020-05-27
Identifier:~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
UGD
UGD
Name:N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
Formula:C15 H14 N4 O3
SMILES:n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3)=O
InChi:InChI=1S/C15H14N4O3/c20-13(4-10-7-16-9-17-8-10)18-11-2-1-3-12(5-11)22-15-6-14(21)19-15/h1-3,5,7-9,15H,4,6H2,(H,18,20)(H,19,21)/t15-/m1/s1
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
UGG
UGG
Name:2-(isoquinolin-4-yl)-N-phenylacetamide
Formula:C17 H14 N2 O
SMILES:N(c1ccccc1)C(=O)Cc2c3c(cnc2)cccc3
InChi:InChI=1S/C17H14N2O/c20-17(19-15-7-2-1-3-8-15)10-14-12-18-11-13-6-4-5-9-16(13)14/h1-9,11-12H,10H2,(H,19,20)
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:2-(isoquinolin-4-yl)-N-phenylacetamide
UGM
UGM
Name:2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide
Formula:C13 H10 N4 O
SMILES:N#Cc1cncc(c1)CC(=O)Nc2cccnc2
InChi:InChI=1S/C13H10N4O/c14-6-11-4-10(7-16-8-11)5-13(18)17-12-2-1-3-15-9-12/h1-4,7-9H,5H2,(H,17,18)
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide
UGP
UGP
Name:2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C15 H13 N3 O
SMILES:N(C(Cc1cccc(C#N)c1)=O)c2cnccc2C
InChi:InChI=1S/C15H13N3O/c1-11-5-6-17-10-14(11)18-15(19)8-12-3-2-4-13(7-12)9-16/h2-7,10H,8H2,1H3,(H,18,19)
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide
UGS
UGS
Name:N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide
Formula:C18 H16 N2 O2
SMILES:N(C(=O)Cc2cc1c(cccc1)cc2)c3cc(ccn3)OC
InChi:InChI=1S/C18H16N2O2/c1-22-16-8-9-19-17(12-16)20-18(21)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10,12H,11H2,1H3,(H,19,20,21)
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide
UH1
UH1
Name:2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide
Formula:C14 H11 N3 O
SMILES:N(C(Cc1cc(ccc1)C#N)=O)c2cccnc2
InChi:InChI=1S/C14H11N3O/c15-9-12-4-1-3-11(7-12)8-14(18)17-13-5-2-6-16-10-13/h1-7,10H,8H2,(H,17,18)
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide
UH4
UH4
Name:N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea
Formula:C11 H11 N3 O S
SMILES:N(C(Nc1ccc(s1)C)=O)c2cccnc2
InChi:InChI=1S/C11H11N3OS/c1-8-4-5-10(16-8)14-11(15)13-9-3-2-6-12-7-9/h2-7H,1H3,(H2,13,14,15)
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea
UH7
UH7
Name:2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C14 H13 Cl N2 O
SMILES:N(C(Cc1cccc(c1)Cl)=O)c2cnccc2C
InChi:InChI=1S/C14H13ClN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
UHA
UHA
Name:(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:C15 H15 Cl N2 O
SMILES:n1ccc(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O
InChi:InChI=1S/C15H15ClN2O/c1-10-6-7-17-9-14(10)18-15(19)11(2)12-4-3-5-13(16)8-12/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
UHG
UHG
Name:(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
Formula:C15 H12 Cl N O2
SMILES:c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)=O
InChi:InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
UHM
UHM
Name:2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide
Formula:C13 H11 N3 O2 S
SMILES:n2scc(CNC(c1c(OCC#N)cccc1)=O)c2
InChi:InChI=1S/C13H11N3O2S/c14-5-6-18-12-4-2-1-3-11(12)13(17)15-7-10-8-16-19-9-10/h1-4,8-9H,6-7H2,(H,15,17)
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide
UHS
UHS
Name:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
Formula:C21 H30 N4 O3
SMILES:N(C(C)(C)C)C(=O)C(N(c1noc(C(C)(C)C)c1)C(=O)CC)c2cnccc2
InChi:InChI=1S/C21H30N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h9-13,18H,8H2,1-7H3,(H,23,27)/t18-/m1/s1
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
UHV
UHV
Name:N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:C25 H30 N4 O4
SMILES:N(c1c(cc(cc1)OC)C)C(=O)C(c2cccnc2)N(c3noc(c3)C(C)(C)C)C(=O)CC
InChi:InChI=1S/C25H30N4O4/c1-7-22(30)29(21-14-20(33-28-21)25(3,4)5)23(17-9-8-12-26-15-17)24(31)27-19-11-10-18(32-6)13-16(19)2/h8-15,23H,7H2,1-6H3,(H,27,31)/t23-/m1/s1
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
UHY
UHY
Name:N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide
Formula:C27 H32 N4 O2
SMILES:N(c1c(cccc1C)CC)C(=O)C(N(c2cnc(C(C)C)cc2)C(CC)=O)c3cnccc3
InChi:InChI=1S/C27H32N4O2/c1-6-20-11-8-10-19(5)25(20)30-27(33)26(21-12-9-15-28-16-21)31(24(32)7-2)22-13-14-23(18(3)4)29-17-22/h8-18,26H,6-7H2,1-5H3,(H,30,33)/t26-/m1/s1
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide
UJ1
UJ1
Name:N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:C26 H33 N5 O2
SMILES:N(c1c(cccc1C)CC)C(=O)C(N(c2cc(nn2)C(C)(C)C)C(CC)=O)c3cnccc3
InChi:InChI=1S/C26H33N5O2/c1-7-18-12-9-11-17(3)23(18)28-25(33)24(19-13-10-14-27-16-19)31(22(32)8-2)21-15-20(29-30-21)26(4,5)6/h9-16,24H,7-8H2,1-6H3,(H,28,33)(H,29,30)/t24-/m1/s1
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
UJ4
UJ4
Name:N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:C27 H31 N3 O4
SMILES:N(c1c(C)cc(cc1)OC)C(=O)C(c2cccnc2)N(c3ccc(cc3)C(OC)C)C(CC)=O
InChi:InChI=1S/C27H31N3O4/c1-6-25(31)30(22-11-9-20(10-12-22)19(3)33-4)26(21-8-7-15-28-17-21)27(32)29-24-14-13-23(34-5)16-18(24)2/h7-17,19,26H,6H2,1-5H3,(H,29,32)/t19-,26+/m0/s1
Definition date:2020-05-18
Last modified:2020-05-22
Release date:2020-05-27
Identifier:N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
P4J
P4J
Name:[(2~{R},3~{R},4~{R},5~{S})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium
Formula:C8 H9 N2 O22 V6
SMILES:C1(C(O[V](O)(O)O)C(O[V](O)(O)O[V](O)(O)O[V](O)(O)O)C(CO[V](O)(O)O[V](O)(O)O)O1)n2ccnc2
InChi:InChI=1S/C8H9N2O4.15H2O.3O.6V/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10
Definition date:2019-07-30
Last modified:2020-05-18
Release date:2020-04-29
Identifier:vanadium(4+) hydroxide dihydroxy(dioxido)vanadium (2R,3R,4R,5S)-2-(1H-imidazol-1-yl)-5-(oxidomethyl)tetrahydrofuran-3,4-diolate trihydroxy(oxido)vanadium (4:10:1:1:1) (non-preferred name)
YF2
YF2
Name:N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
Formula:C30 H28 N6 O3 S
SMILES:CC(n1ccc2c1cc(cc2NS(CC)(=O)=O)c3cn(C)c4c3C=CNC4=O)(c5ccccn5)c6ncccc6
InChi:InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)
Definition date:2019-05-20
Last modified:2020-05-15
Release date:2020-05-20
Identifier:N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
CVO
CVO
Name:piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate
Formula:C13 H24 F N3 O2
SMILES:NCC1(F)CCN(CC1)C(=O)OCC2CCNCC2
InChi:InChI=1S/C13H24FN3O2/c14-13(10-15)3-7-17(8-4-13)12(18)19-9-11-1-5-16-6-2-11/h11,16H,1-10,15H2
Definition date:2019-05-20
Last modified:2020-05-15
Release date:2020-05-20
Identifier:piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate
CW0
CW0
Name:piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
Formula:C22 H32 F N3 O2
SMILES:FC1(CCN(CC1)C(=O)OCC2CCNCC2)CN[CH]3C[CH]3c4ccccc4
InChi:InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2/t19-,20+/m0/s1
Definition date:2019-05-20
Last modified:2020-05-15
Release date:2020-05-20
Identifier:piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
D3U
D3U
Name:2-PCPA derivative
Formula:C36 H41 N9 O15 P2
SMILES:Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C=CN7c2cc1C)c8ccccc8
InChi:InChI=1S/C36H41N9O15P2/c1-17-10-21-22(11-18(17)2)45-9-8-20(19-6-4-3-5-7-19)36(45)33(41-35(52)42-34(36)51)43(21)12-23(46)27(48)24(47)13-57-61(53,54)60-62(55,56)58-14-25-28(49)29(50)32(59-25)44-16-40-26-30(37)38-15-39-31(26)44/h3-11,15-16,20,23-25,27-29,32,46-50H,12-14H2,1-2H3,(H,53,54)(H,55,56)(H2,37,38,39)(H,42,51,52)/t20-,23-,24+,25+,27-,28+,29+,32+,36-/m0/s1
Definition date:2019-06-20
Last modified:2020-05-15
Release date:2020-05-20

222624

PDB entries from 2024-07-17

PDB statisticsPDBj update infoContact PDBjnumon