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
XL3
XL3
表記:propane-1-thiol
組成式:C3 H8 S
SMILES:SCCC
InChi:InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
定義日:2007-12-20
最終更新日:2024-09-27
識別子（ID）:propane-1-thiol
V32
V32
表記:4-morpholin-4-ylcarbonylbenzaldehyde
組成式:C12 H13 N O3
SMILES:O=Cc1ccc(cc1)C(=O)N2CCOCC2
InChi:InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2
定義日:2021-04-08
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-morpholin-4-ylcarbonylbenzaldehyde
PVG
PVG
表記:Phycoviolobilin, green light-absorbing form
組成式:C33 H40 N4 O6
SMILES:CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,15,27,35H,7-12,14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,28-15-/t27-/m0/s1
定義日:2012-11-12
最終更新日:2024-09-27
公開日:2013-01-25
識別子（ID）:3-[5-[[(2S)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
WCJ
WCJ
表記:N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
組成式:C28 H26 F N7 O2
SMILES:CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)c(F)c1
InChi:InChI=1S/C28H26FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-15H,1-4H3,(H,35,37)(H2,30,32,33)
定義日:2023-05-11
最終更新日:2024-09-27
公開日:2023-06-07
識別子（ID）:N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
YDB
YDB
表記:1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
組成式:C9 H12 B N7 O5 S2
SMILES:O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O
InChi:InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1
定義日:2023-01-25
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
MLL
MLL
表記:METHYL L-LEUCINATE
組成式:C7 H15 N O2
SMILES:O=C(OC)C(N)CC(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1
定義日:2006-10-02
最終更新日:2024-09-27
識別子（ID）:methyl L-leucinate
PVH
PVH
表記:HISTIDINE-METHYL-ESTER
組成式:C7 H12 N3 O2
SMILES:O=C(OC)C(N)Cc1cnc[nH+]1
InChi:InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/p+1/t6-/m0/s1
定義日:2001-04-02
最終更新日:2024-09-27
識別子（ID）:methyl 3-(1H-imidazol-3-ium-4-yl)-L-alaninate
ZTA
ZTA
表記:(7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
組成式:C15 H10 O3
SMILES:O=Cc1c2cc(ccc2ccc1O)c1ccco1
InChi:InChI=1S/C15H10O3/c16-9-13-12-8-11(15-2-1-7-18-15)4-3-10(12)5-6-14(13)17/h1-9,17H
定義日:2023-07-03
最終更新日:2024-09-27
公開日:2023-12-06
識別子（ID）:(7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
V34
V34
表記:ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
組成式:C27 H36 N4 O6
SMILES:CCOC(=O)[C@H]=[C@H]C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c3cc2c(OC)cccc2n3
InChi:InChI=1S/C27H36N4O6/c1-5-37-24(32)10-9-18(14-17-11-12-28-25(17)33)29-26(34)21(13-16(2)3)31-27(35)22-15-19-20(30-22)7-6-8-23(19)36-4/h6-10,15-18,21,30H,5,11-14H2,1-4H3,(H,28,33)(H,29,34)(H,31,35)/b10-9+/t17-,18+,21-/m0/s1
定義日:2020-06-19
最終更新日:2024-09-27
公開日:2020-07-08
識別子（ID）:ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
PVI
PVI
表記:(4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid
組成式:C7 H11 N O4
SMILES:N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O
InChi:InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/t4-,5+,6+/m0/s1
別名:(4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid
定義日:2022-10-04
最終更新日:2024-09-27
公開日:2023-02-15
識別子（ID）:(4~{R},5~{R})-3-azanyl-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid
XL5
XL5
表記:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
組成式:C22 H21 Cl2 F N4 O4
SMILES:c1(c(c(c(Cl)c(OC)c1)COc3cnc(Nc2c(cccc2NC(CC)=O)F)nc3)Cl)OC
InChi:InChI=1S/C22H21Cl2FN4O4/c1-4-18(30)28-15-7-5-6-14(25)21(15)29-22-26-9-12(10-27-22)33-11-13-19(23)16(31-2)8-17(32-3)20(13)24/h5-10H,4,11H2,1-3H3,(H,28,30)(H,26,27,29)
定義日:2017-11-05
最終更新日:2024-09-27
公開日:2019-07-10
識別子（ID）:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
VXA
VXA
表記:METHYLPHOSPHONIC ACID ESTER GROUP
組成式:C H4 O2 P
SMILES:[O-]P(=O)C
InChi:InChI=1S/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)/p-1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:methylphosphinate
V35
V35
表記:D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
組成式:C10 H14 B Cl N O4
SMILES:Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O
InChi:InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1
別名:D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:[(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-)
T3R
T3R
表記:N,5-dimethyl-L-norleucine
組成式:C8 H17 N O2
SMILES:CNC(CCC(C)C)C(=O)O
InChi:InChI=1S/C8H17NO2/c1-6(2)4-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t7-/m0/s1
定義日:2022-07-15
最終更新日:2024-09-27
公開日:2023-05-24
識別子（ID）:N,5-dimethyl-L-norleucine
XL6
XL6
表記:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
組成式:C23 H24 Cl2 N4 O4
SMILES:c1(OC)c(Cl)c(c(c(c1)OC)Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cccc3C
InChi:InChI=1S/C23H24Cl2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h6-11H,5,12H2,1-4H3,(H,28,30)(H,26,27,29)
定義日:2017-10-28
最終更新日:2024-09-27
公開日:2019-07-10
識別子（ID）:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
ZTC
ZTC
表記:(2S)-amino(3,5-dimethoxyphenyl)acetic acid
組成式:C10 H13 N O4
SMILES:COc1cc(cc(OC)c1)C(N)C(=O)O
InChi:InChI=1S/C10H13NO4/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m0/s1
定義日:2023-03-30
最終更新日:2024-09-27
公開日:2023-06-21
識別子（ID）:(2S)-amino(3,5-dimethoxyphenyl)acetic acid
SAC
SAC
表記:N-ACETYL-SERINE
組成式:C5 H9 N O4
SMILES:O=C(O)C(NC(=O)C)CO
InChi:InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-L-serine
WCM
WCM
表記:(2S)-2-amino-3-(biphenyl-4-yl)-N-methyl-N-[(2S)-1-oxopropan-2-yl]propanamide (non-preferred name)
組成式:C19 H22 N2 O3
SMILES:C(C(Cc2ccc(c1ccccc1)cc2)N)(N(C(C)C(O)=O)C)=O
InChi:InChI=1S/C19H22N2O3/c1-13(19(23)24)21(2)18(22)17(20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12,20H2,1-2H3,(H,23,24)/t13-,17-/m0/s1
定義日:2020-10-13
最終更新日:2024-09-27
公開日:2021-11-10
識別子（ID）:(2S)-2-{[(2S)-2-amino-3-(biphenyl-4-yl)propanoyl](methyl)amino}propanoic acid (non-preferred name)
V36
V36
表記:L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
組成式:C10 H14 B Cl N O4
SMILES:Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O
InChi:InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m0/s1
別名:L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:[(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-)
5QP
5QP
表記:(1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside
組成式:C13 H24 O10
SMILES:OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)C[CH](O)[CH]2CO)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C13H24O10/c14-2-4-5(16)1-6(17)8(18)12(4)23-13-11(21)10(20)9(19)7(3-15)22-13/h4-21H,1-3H2/t4-,5+,6-,7+,8+,9+,10-,11+,12+,13+/m0/s1
別名:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(1~{R},2~{S},3~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5,6-tris(oxida nyl)cyclohexyl]oxy-oxane-3,4,5-triol
定義日:2015-11-10
最終更新日:2024-09-27
公開日:2016-07-06
識別子（ID）:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(1~{R},2~{S},3~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5,6-tris(oxida nyl)cyclohexyl]oxy-oxane-3,4,5-triol
XL7
XL7
表記:N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide
組成式:C22 H20 Cl3 F N4 O4
SMILES:c1(cc(c(c(c1Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cc(cc3Cl)F)Cl)OC)OC
InChi:InChI=1S/C22H20Cl3FN4O4/c1-4-18(31)29-15-6-11(26)5-14(23)21(15)30-22-27-8-12(9-28-22)34-10-13-19(24)16(32-2)7-17(33-3)20(13)25/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30)
定義日:2017-11-05
最終更新日:2024-09-27
公開日:2019-07-10
識別子（ID）:N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide
LSO
LSO
表記:(Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-2-OXOBUTYL)SULFONYL]METHYL}PROPYLIDENE)-L-LYSINE
組成式:C16 H26 N2 O9 S
SMILES:O=S(=O)(C/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CC(=O)CCC(=O)O
InChi:InChI=1S/C16H26N2O9S/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-28(26,27)10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1
別名:2-AMINO-6-[3-CARBOXY-2-OXO-BUTANE-1-SULFONYLMETHYL-PROPYLIDENEAMINO]-HEXANOIC ACID
定義日:2005-09-11
最終更新日:2024-09-27
識別子（ID）:(E)-N~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-L-lysine
XL8
XL8
表記:N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide
組成式:C22 H20 Cl4 N4 O4
SMILES:c1(c(Cl)c(c(c(c1)OC)Cl)COc3cnc(Nc2c(cc(cc2NC(CC)=O)Cl)Cl)nc3)OC
InChi:InChI=1S/C22H20Cl4N4O4/c1-4-18(31)29-15-6-11(23)5-14(24)21(15)30-22-27-8-12(9-28-22)34-10-13-19(25)16(32-2)7-17(33-3)20(13)26/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30)
定義日:2017-11-05
最終更新日:2024-09-27
公開日:2019-07-10
識別子（ID）:N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide
XL9
XL9
表記:N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
組成式:C24 H26 Cl2 N4 O4
SMILES:c4(c(Cl)c(c1ccc3c(c1)cnc(NC2COCCC2NC(CC)=O)n3)c(c(c4)OC)Cl)OC
InChi:InChI=1S/C24H26Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h5-6,9-11,16-17H,4,7-8,12H2,1-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1
定義日:2017-11-05
最終更新日:2024-09-27
公開日:2019-07-10
識別子（ID）:N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
UPQ
UPQ
表記:4-(4-methylimidazol-1-yl)benzaldehyde
組成式:C11 H10 N2 O
SMILES:Cc1cn(cn1)c2ccc(C=O)cc2
InChi:InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3
定義日:2021-03-04
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:4-(4-methylimidazol-1-yl)benzaldehyde

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon