Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
6SE
6SE
Name:triselane
Formula:H2 Se3
SMILES:[SeH][Se][SeH]
InChi:InChI=1S/H2Se3/c1-3-2/h1-2H
Definition date:2011-08-05
Last modified:2024-09-27
Identifier:triselane
6SI
6SI
Name:(3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide
Formula:C14 H23 N8 O2 S
SMILES:N[NH2+]NCC(=O)N1CCc2nc(NC(=O)[CH]3CCN(C3)C=N)sc2C1
InChi:InChI=1S/C14H22N8O2S/c15-8-21-3-1-9(6-21)13(24)19-14-18-10-2-4-22(7-11(10)25-14)12(23)5-17-20-16/h8-9,15,17,20H,1-7,16H2,(H,18,19,24)/p+1/b15-8+/t9-/m0/s1
Definition date:2021-08-02
Last modified:2024-09-27
Release date:2022-08-10
Identifier:azanyl-[[2-[2-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]carbonylamino]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-oxidanylidene-ethyl]amino]azanium
6SM
6SM
Name:5-chloranylpyrimidine-4-carboxylic acid
Formula:C5 H3 Cl N2 O2
SMILES:OC(=O)c1ncncc1Cl
InChi:InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10)
Definition date:2016-06-15
Last modified:2024-09-27
Release date:2016-08-10
Identifier:5-chloranylpyrimidine-4-carboxylic acid
6T8
6T8
Name:N-((S)-3-(4-(aminomethyl)phenyl)-1-(((R)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide
Formula:C25 H35 B N6 O5
SMILES:NCc1ccc(C[CH](NC(=O)c2ccccc2)C(=O)N[CH](CCCNC(N)=N)B3OCC(O)CO3)cc1
InChi:InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-15-20(33)16-37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t21-,22-/m0/s1
Definition date:2016-06-20
Last modified:2024-09-27
Release date:2016-07-06
Identifier:~{N}-[(2~{S})-3-[4-(aminomethyl)phenyl]-1-[[(1~{R})-4-carbamimidamido-1-(5-oxidanyl-1,3,2-dioxaborinan-2-yl)butyl]amino]-1-oxidanylidene-propan-2-yl]benzamide
6TS
6TS
Name:[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
Formula:C31 H34 Cl N7 O3
SMILES:CCC(=O)Nc1ccccc1Nc2nc(Nc3ccnc(c3)C#CCCNC(=O)O[CH]4CCCC=CCC4)ncc2Cl
InChi:InChI=1S/C31H34ClN7O3/c1-2-28(40)37-26-15-8-9-16-27(26)38-29-25(32)21-35-30(39-29)36-23-17-19-33-22(20-23)12-10-11-18-34-31(41)42-24-13-6-4-3-5-7-14-24/h3-4,8-9,15-17,19-21,24H,2,5-7,11,13-14,18H2,1H3,(H,34,41)(H,37,40)(H2,33,35,36,38,39)/b4-3-/t24-/m0/s1
Definition date:2016-06-22
Last modified:2024-09-27
Release date:2016-08-31
Identifier:[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
6TT
6TT
Name:~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide
Formula:C20 H19 F3 N6 O2
SMILES:CCC(=O)Nc1ccccc1Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F
InChi:InChI=1S/C20H19F3N6O2/c1-3-17(30)27-15-6-4-5-7-16(15)28-18-14(20(21,22)23)11-25-19(29-18)26-12-8-13(31-2)10-24-9-12/h4-11H,3H2,1-2H3,(H,27,30)(H2,25,26,28,29)
Definition date:2016-06-22
Last modified:2024-09-27
Release date:2016-07-20
Identifier:~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide
6UU
6UU
Name:[2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid
Formula:C10 H13 N2 O3 P
SMILES:O[P](O)(=O)NCCc1c[nH]c2ccccc12
InChi:InChI=1S/C10H13N2O3P/c13-16(14,15)12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2,(H3,12,13,14,15)
Definition date:2016-06-28
Last modified:2024-09-27
Release date:2017-06-28
Identifier:[2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid
6V1
6V1
Name:(2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid
Formula:C9 H14 N2 O4 S
SMILES:CCN1C(=O)C[CH](SC[CH](N)C(O)=O)C1=O
InChi:InChI=1S/C9H14N2O4S/c1-2-11-7(12)3-6(8(11)13)16-4-5(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,14,15)/t5-,6+/m0/s1
Definition date:2016-07-01
Last modified:2024-09-27
Release date:2016-08-17
Identifier:(2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid
6V7
6V7
Name:[(1~{R})-3-methyl-1-[[(2~{S},3~{S})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid
Formula:C21 H28 B N3 O5
SMILES:CC(C)C[CH](NC(=O)[CH](NC(=O)c1cccc(n1)c2ccccc2)[CH](C)O)B(O)O
InChi:InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18-,19-/m0/s1
Definition date:2016-07-01
Last modified:2024-09-27
Release date:2016-08-17
Identifier:[(1~{R})-3-methyl-1-[[(2~{S},3~{S})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid
6V8
6V8
Name:[(1~{R})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid
Formula:C14 H19 B Cl2 N2 O4
SMILES:CC(C)C[CH](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
InChi:InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
Definition date:2016-07-01
Last modified:2024-09-27
Release date:2016-08-17
Identifier:[(1~{R})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid
6V9
6V9
Name:2-methyl-1,3-thiazole-5-carboxylic acid
Formula:C5 H5 N O2 S
SMILES:Cc1sc(cn1)C(O)=O
InChi:InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
Definition date:2016-07-04
Last modified:2024-09-27
Release date:2016-08-17
Identifier:2-methyl-1,3-thiazole-5-carboxylic acid
6VA
6VA
Name:(3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol
Formula:C12 H19 N O2
SMILES:CC(C)(O)[CH](O)[CH](N)Cc1ccccc1
InChi:InChI=1S/C12H19NO2/c1-12(2,15)11(14)10(13)8-9-6-4-3-5-7-9/h3-7,10-11,14-15H,8,13H2,1-2H3/t10-,11+/m0/s1
Definition date:2016-07-04
Last modified:2024-09-27
Release date:2016-08-17
Identifier:(3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol
6VC
6VC
Name:~{N}-[(2~{S})-1-[[(2~{S},3~{R},4~{S})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide
Formula:C20 H40 N2 O6
SMILES:CC(C)CCCCC(=O)N[CH](CO)C(=O)N[CH](CC(C)C)[CH](O)[C](C)(O)CO
InChi:InChI=1S/C20H40N2O6/c1-13(2)8-6-7-9-17(25)21-16(11-23)19(27)22-15(10-14(3)4)18(26)20(5,28)12-24/h13-16,18,23-24,26,28H,6-12H2,1-5H3,(H,21,25)(H,22,27)/t15-,16-,18+,20-/m0/s1
Synonyms:Dihydroeponemycin bound form
Definition date:2016-07-05
Last modified:2024-09-27
Release date:2016-08-17
Identifier:~{N}-[(2~{S})-1-[[(2~{S},3~{R},4~{S})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide
6VF
6VF
Name:(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol
Formula:C10 H15 N O3
SMILES:N[CH](Cc1ccc(O)cc1)[CH](O)CO
InChi:InChI=1S/C10H15NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,9-10,12-14H,5-6,11H2/t9-,10-/m0/s1
Definition date:2016-07-06
Last modified:2024-09-27
Release date:2016-08-17
Identifier:(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol
6VG
6VG
Name:~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate
Formula:C13 H25 N2 O8 P S
SMILES:CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:InChI=1S/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1
Definition date:2016-07-05
Last modified:2024-09-27
Release date:2016-08-31
Identifier:~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate
6VO
6VO
Name:(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol
Formula:C9 H21 N O2
SMILES:CC(C)C[CH](N)[CH](O)C(C)(C)O
InChi:InChI=1S/C9H21NO2/c1-6(2)5-7(10)8(11)9(3,4)12/h6-8,11-12H,5,10H2,1-4H3/t7-,8+/m0/s1
Definition date:2016-07-07
Last modified:2024-09-27
Release date:2016-08-17
Identifier:(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol
6W5
6W5
Name:[(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
Formula:C14 H26 N3 O8 P
SMILES:CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)C=C
InChi:InChI=1S/C14H26N3O8P/c1-4-10(18)15-7-8-16-11(19)5-6-17-13(21)12(20)14(2,3)9-25-26(22,23)24/h4,12,20H,1,5-9H2,2-3H3,(H,15,18)(H,16,19)(H,17,21)(H2,22,23,24)/t12-/m1/s1
Definition date:2016-07-08
Last modified:2024-09-27
Release date:2018-01-24
Identifier:[(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
6WG
6WG
Name:(2~{R})-2-phenylpiperidine-1-carbaldehyde
Formula:C12 H15 N O
SMILES:O=CN1CCCC[CH]1c2ccccc2
InChi:InChI=1S/C12H15NO/c14-10-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t12-/m1/s1
Definition date:2016-07-11
Last modified:2024-09-27
Release date:2016-07-20
Identifier:(2~{R})-2-phenylpiperidine-1-carbaldehyde
6WK
6WK
Name:(2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid
Formula:C7 H15 N O4 S3
SMILES:N[CH](CSSC[CH](O)[CH](O)CS)C(O)=O
InChi:InChI=1S/C7H15NO4S3/c8-4(7(11)12)2-14-15-3-6(10)5(9)1-13/h4-6,9-10,13H,1-3,8H2,(H,11,12)/t4-,5+,6+/m0/s1
Definition date:2016-07-11
Last modified:2024-09-27
Release date:2016-10-12
Identifier:(2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid
6Y1
6Y1
Name:~{N}-(1-adamantyl)-2-selanyl-benzamide
Formula:C17 H21 N O Se
SMILES:[SeH]c1ccccc1C(=O)NC23CC4CC(CC(C4)C2)C3
InChi:InChI=1S/C17H21NOSe/c19-16(14-3-1-2-4-15(14)20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19)/t11-,12+,13-,17-
Synonyms:Adamantyl Ebselen (open form)
Definition date:2016-07-21
Last modified:2024-09-27
Release date:2017-03-29
Identifier:~{N}-(1-adamantyl)-2-selanyl-benzamide
6Y3
6Y3
Name:~{N}-(4-aminophenyl)-2-selanyl-benzamide
Formula:C13 H12 N2 O Se
SMILES:Nc1ccc(NC(=O)c2ccccc2[SeH])cc1
InChi:InChI=1S/C13H12N2OSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17/h1-8,17H,14H2,(H,15,16)
Synonyms:amino-ebselen (open form)
Definition date:2016-07-21
Last modified:2024-09-27
Release date:2017-03-29
Identifier:~{N}-(4-aminophenyl)-2-selanyl-benzamide
6Y5
6Y5
Name:5-fluoranyl-2-oxidanylidene-pentanoic acid
Formula:C5 H7 F O3
SMILES:OC(=O)C(=O)CCCF
InChi:InChI=1S/C5H7FO3/c6-3-1-2-4(7)5(8)9/h1-3H2,(H,8,9)
Definition date:2016-07-21
Last modified:2024-09-27
Release date:2018-02-21
Identifier:5-fluoranyl-2-oxidanylidene-pentanoic acid
6ZD
6ZD
Name:5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine
Formula:C15 H23 Cl N7 O10 P S
SMILES:C1(C(C(COP(CS(=O)(NCCNC(CCl)=O)=O)(O)=O)OC1n3c2c(C(N=C(N)N2)=O)nc3)O)O
InChi:InChI=1S/C15H23ClN7O10PS/c16-3-8(24)18-1-2-20-35(30,31)6-34(28,29)32-4-7-10(25)11(26)14(33-7)23-5-19-9-12(23)21-15(17)22-13(9)27/h5,7,10-11,14,20,25-26H,1-4,6H2,(H,18,24)(H,28,29)(H3,17,21,22,27)/t7-,10-,11-,14-/m1/s1
Definition date:2016-07-29
Last modified:2024-09-27
Release date:2017-04-12
Identifier:5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine
6ZS
6ZS
Name:L-isovaline
Formula:C5 H11 N O2
SMILES:CC[C](C)(N)C(O)=O
InChi:InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1
Definition date:2016-08-02
Last modified:2024-09-27
Release date:2017-10-04
Identifier:(2~{S})-2-azanyl-2-methyl-butanoic acid
703
703
Name:5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE
Formula:C21 H20 N4 O4 S2
SMILES:[O-][N+](=O)c1cccc(c1)c4sc3cc2C(=O)N(C(=S)n2c3c4)CCCN5CCOCC5
InChi:InChI=1S/C21H20N4O4S2/c26-20-17-13-19-16(12-18(31-19)14-3-1-4-15(11-14)25(27)28)24(17)21(30)23(20)6-2-5-22-7-9-29-10-8-22/h1,3-4,11-13H,2,5-10H2
Synonyms:6-[3-(4-MORPHOLINYL)PROPYL]-2-(3-NITROPHENYL)-5-THIOXO-5,6,-DIHYDRO-7H-THIENOL[2',3':4,5]PYRROLO[1,2-C] IMIDAZOL-7-ONE
Definition date:2000-09-27
Last modified:2024-09-27
Identifier:6-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-5-thioxo-5,6-dihydro-7H-thieno[2',3':4,5]pyrrolo[1,2-c]imidazol-7-one

243083

數據於2025-10-15公開中

PDB statisticsPDBj update infoContact PDBjnumon