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
LRN
LRN
表記:1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
組成式:C20 H36 N2 O2
SMILES:O=C(C)N1CCCC(C1)N(CC1CCCCC1)C1CCC(O)CC1
InChi:InChI=1S/C20H36N2O2/c1-16(23)21-13-5-8-19(15-21)22(14-17-6-3-2-4-7-17)18-9-11-20(24)12-10-18/h17-20,24H,2-15H2,1H3/t18-,19-,20-/m1/s1
定義日:2023-08-15
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
S99
S99
表記:7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
組成式:C21 H24 N2 O3
SMILES:n3c(c1nc(oc1)C(O)(O)CCCCCCc2ccccc2)cccc3
InChi:InChI=1S/C21H24N2O3/c24-21(25,14-8-2-1-4-10-17-11-5-3-6-12-17)20-23-19(16-26-20)18-13-7-9-15-22-18/h3,5-7,9,11-13,15-16,24-25H,1-2,4,8,10,14H2
定義日:2009-05-19
最終更新日:2024-09-27
識別子（ID）:7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
XK6
XK6
表記:8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
組成式:C10 H6 F N O5 S
SMILES:FS(=O)(=O)c1cccc2c1NC=C(C2=O)C(=O)O
InChi:InChI=1S/C10H6FNO5S/c11-18(16,17)7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
定義日:2023-11-03
最終更新日:2024-09-27
公開日:2024-09-25
識別子（ID）:8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
UON
UON
表記:4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
組成式:C15 H11 Cl N2 O2
SMILES:COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3
InChi:InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3
定義日:2021-03-03
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
PUK
PUK
表記:N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine
組成式:C18 H22 N2 O2
SMILES:O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1
定義日:2009-02-06
最終更新日:2024-09-27
識別子（ID）:N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine
VHM
VHM
表記:N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
組成式:C29 H44 N4 O6
SMILES:c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)CC3CCCCC3)=O
InChi:InChI=1S/C29H44N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h4,7-8,11-12,19-20,22-25,34H,3,5-6,9-10,13-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1
定義日:2020-08-12
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
T2V
T2V
表記:1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one
組成式:C14 H16 N2 O S
SMILES:n2c(C1CCCN(C1)C(C)=O)sc3c2cccc3
InChi:InChI=1S/C14H16N2OS/c1-10(17)16-8-4-5-11(9-16)14-15-12-6-2-3-7-13(12)18-14/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m1/s1
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one
YCH
YCH
表記:[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol
組成式:C3 H7 B O4
SMILES:OC[CH]1COB(O)O1
InChi:InChI=1S/C3H7BO4/c5-1-3-2-7-4(6)8-3/h3,5-6H,1-2H2/t3-/m0/s1
定義日:2023-06-13
最終更新日:2024-09-27
公開日:2024-01-17
識別子（ID）:[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol
X6T
X6T
表記:(1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C30 H46 F3 N5 O6
SMILES:CC1(C)C2C(C(=O)NC(CC3CCCNC3=O)C(O)C(=O)N3CC(C)(C)C3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:InChI=1S/C30H46F3N5O6/c1-27(2,3)21(36-26(44)30(31,32)33)25(43)38-12-16-18(29(16,6)7)19(38)23(41)35-17(11-15-9-8-10-34-22(15)40)20(39)24(42)37-13-28(4,5)14-37/h15-21,39H,8-14H2,1-7H3,(H,34,40)(H,35,41)(H,36,44)/t15-,16-,17-,18-,19-,20+,21+/m0/s1
定義日:2022-11-02
最終更新日:2024-09-27
公開日:2023-10-11
識別子（ID）:(1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
VHP
VHP
表記:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C29 H46 N4 O7
SMILES:c1ccc(cc1)COC(NC(C(=O)NC(C(=O)NC(CC2C(NCC2)=O)CO)CC(C)C)C(C)OC(C)(C)C)=O
InChi:InChI=1S/C29H46N4O7/c1-18(2)14-23(26(36)31-22(16-34)15-21-12-13-30-25(21)35)32-27(37)24(19(3)40-29(4,5)6)33-28(38)39-17-20-10-8-7-9-11-20/h7-11,18-19,21-24,34H,12-17H2,1-6H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t19-,21+,22+,23+,24+/m1/s1
定義日:2020-08-13
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
O7D
O7D
表記:4-methoxy-N-methyl-L-tryptophan
組成式:C13 H16 N2 O3
SMILES:CNC(Cc1cnc2cccc(c12)OC)C(=O)O
InChi:InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1
定義日:2019-06-17
最終更新日:2024-09-27
公開日:2020-05-13
識別子（ID）:4-methoxy-N-methyl-L-tryptophan
XZ6
XZ6
表記:7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one
組成式:C8 H9 N2 O2 S
SMILES:Cc1csc2N=C(CO)CC(=O)[n]12
InChi:InChI=1S/C8H9N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h4,11H,2-3H2,1H3
定義日:2023-11-14
最終更新日:2024-09-27
公開日:2024-02-14
識別子（ID）:7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one
T2W
T2W
表記:[(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate
組成式:C27 H44 N2 O5
SMILES:CNC(=O)O[CH](C)C=CC(=O)N[CH]1CC[CH](CC1)CC=C(C)C=C[CH]2C[C](C)(O)CC(C)(C)O2
InChi:InChI=1S/C27H44N2O5/c1-19(8-15-23-17-27(5,32)18-26(3,4)34-23)7-10-21-11-13-22(14-12-21)29-24(30)16-9-20(2)33-25(31)28-6/h7-9,15-16,20-23,32H,10-14,17-18H2,1-6H3,(H,28,31)(H,29,30)/b15-8+,16-9-,19-7+/t20-,21-,22+,23+,27+/m0/s1
定義日:2020-12-14
最終更新日:2024-09-27
公開日:2021-08-04
識別子（ID）:[(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate
PUO
PUO
表記:1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
組成式:C24 H24 Cl F N2 O3
SMILES:CCC(=O)N1CCN2Cc3cc(C#CC)c(c(F)c3OC[CH]2C1)c4c(O)cccc4Cl
InChi:InChI=1S/C24H24ClFN2O3/c1-3-6-15-11-16-12-27-9-10-28(20(30)4-2)13-17(27)14-31-24(16)23(26)21(15)22-18(25)7-5-8-19(22)29/h5,7-8,11,17,29H,4,9-10,12-14H2,1-2H3/t17-/m1/s1
定義日:2022-10-04
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
T2X
T2X
表記:(2R)-2-hydroxy-5-methylhexanoic acid
組成式:C7 H14 O3
SMILES:CC(C)CCC(O)C(O)=O
InChi:InChI=1S/C7H14O3/c1-5(2)3-4-6(8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)/t6-/m1/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）:(2R)-2-hydroxy-5-methylhexanoic acid
ZS8
ZS8
表記:(2S)-2-amino-2-methyldec-8-ynoic acid
組成式:C11 H19 N O2
SMILES:NC(C(=O)O)(C)CCCCCC#CC
InChi:InChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1
定義日:2016-04-06
最終更新日:2024-09-27
公開日:2016-10-19
識別子（ID）:(2S)-2-amino-2-methyldec-8-ynoic acid
S9E
S9E
表記:6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde
組成式:C9 H6 Br N3 O
SMILES:Brc1nccn1c2ccc(C=O)cn2
InChi:InChI=1S/C9H6BrN3O/c10-9-11-3-4-13(9)8-2-1-7(6-14)5-12-8/h1-6H
定義日:2020-11-12
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde
YPP
YPP
表記:Hydrolyzed piperacillin
組成式:C23 H29 N5 O8 S
SMILES:O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3
InChi:InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17-/m1/s1
別名:(2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
定義日:2011-01-06
最終更新日:2024-09-27
識別子（ID）:(2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
T2Y
T2Y
表記:N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
組成式:C10 H11 N O3
SMILES:c2cc1c(OCO1)cc2CNC(C)=O
InChi:InChI=1S/C10H11NO3/c1-7(12)11-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3,(H,11,12)
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
ZS9
ZS9
表記:dehydrocostus lactone, bound form
組成式:C15 H20 O2
SMILES:C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C
InChi:InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1
定義日:2023-07-03
最終更新日:2024-09-27
公開日:2024-07-03
識別子（ID）:(3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one
5PV
5PV
表記:5-PHENYLVALERIC ACID
組成式:C11 H14 O2
SMILES:O=C(O)CCCCc1ccccc1
InChi:InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:5-phenylpentanoic acid
YCK
YCK
表記:N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide
組成式:C17 H35 N4 O8 P
SMILES:O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(N)CC(C)C
InChi:InChI=1S/C17H35N4O8P/c1-11(2)9-12(18)15(24)21-8-7-19-13(22)5-6-20-16(25)14(23)17(3,4)10-29-30(26,27)28/h11-12,14,23H,5-10,18H2,1-4H3,(H,19,22)(H,20,25)(H,21,24)(H2,26,27,28)/t12-,14-/m0/s1
定義日:2023-01-24
最終更新日:2024-09-27
公開日:2023-06-21
識別子（ID）:N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide
UOT
UOT
表記:4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
組成式:C15 H11 Cl N2 O2
SMILES:COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1
InChi:InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3
定義日:2021-03-03
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
O7G
O7G
表記:N,N-dimethyl-L-valine
組成式:C7 H15 N O2
SMILES:N(C)(C)C(C(=O)O)C(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1
定義日:2019-06-17
最終更新日:2024-09-27
公開日:2020-05-13
識別子（ID）:N,N-dimethyl-L-valine
Z9J
Z9J
表記:3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid
組成式:C13 H19 N O2 S2
SMILES:NCCSCc1cccc(CSCCC(O)=O)c1
InChi:InChI=1S/C13H19NO2S2/c14-5-7-18-10-12-3-1-2-11(8-12)9-17-6-4-13(15)16/h1-3,8H,4-7,9-10,14H2,(H,15,16)
別名:3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid
定義日:2024-01-22
最終更新日:2024-09-27
公開日:2024-04-24
識別子（ID）:3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon