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
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:2020-12-18
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
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:2020-12-18
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
VHV
VHV
表記:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C26 H40 N4 O6
SMILES:c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CO)CC2C(=O)NCC2)=O)CC(C)C)=O
InChi:InChI=1S/C26H40N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,16-17,19-22,31H,10-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1
定義日:2020-08-13
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
VYV
VYV
表記:4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide
組成式:C15 H18 N4 O5 S2
SMILES:c1ccccc1NC(NCCS(Nc2ccc(cc2)S(=O)(=O)N)(=O)=O)=O
InChi:InChI=1S/C15H18N4O5S2/c16-26(23,24)14-8-6-13(7-9-14)19-25(21,22)11-10-17-15(20)18-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,23,24)(H2,17,18,20)
定義日:2020-09-22
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide
VYY
VYY
表記:4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
組成式:C16 H20 N4 O5 S2
SMILES:N(C(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)c2ccc(C)cc2
InChi:InChI=1S/C16H20N4O5S2/c1-12-2-4-13(5-3-12)19-16(21)18-10-11-26(22,23)20-14-6-8-15(9-7-14)27(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21)
定義日:2020-09-22
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
VZ1
VZ1
表記:4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
組成式:C17 H22 N4 O5 S2
SMILES:c2c(NC(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)cc(cc2C)C
InChi:InChI=1S/C17H22N4O5S2/c1-12-9-13(2)11-15(10-12)20-17(22)19-7-8-27(23,24)21-14-3-5-16(6-4-14)28(18,25)26/h3-6,9-11,21H,7-8H2,1-2H3,(H2,18,25,26)(H2,19,20,22)
定義日:2020-09-23
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
VZD
VZD
表記:4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
組成式:C15 H17 F N4 O5 S2
SMILES:N(c1ccc(F)cc1)C(NCCS(Nc2ccc(cc2)S(N)(=O)=O)(=O)=O)=O
InChi:InChI=1S/C15H17FN4O5S2/c16-11-1-3-12(4-2-11)19-15(21)18-9-10-26(22,23)20-13-5-7-14(8-6-13)27(17,24)25/h1-8,20H,9-10H2,(H2,17,24,25)(H2,18,19,21)
定義日:2020-09-23
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
EGO
EGO
表記:5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid
組成式:C24 H18 Cl F N2 O3
SMILES:Cc1cnn(c2ccc(OCc3ccccc3)c(c2)C(O)=O)c1c4ccc(Cl)c(F)c4
InChi:InChI=1S/C24H18ClFN2O3/c1-15-13-27-28(23(15)17-7-9-20(25)21(26)11-17)18-8-10-22(19(12-18)24(29)30)31-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,29,30)
定義日:2019-12-20
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid
EGU
EGU
表記:4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid
組成式:C21 H16 Cl2 F N3 O4 S
SMILES:COc1ccc2CN(Cc2c1)c3sc(Cl)c(n3)C(=O)N(C)c4cc(Cl)c(F)cc4C(O)=O
InChi:InChI=1S/C21H16Cl2FN3O4S/c1-26(16-7-14(22)15(24)6-13(16)20(29)30)19(28)17-18(23)32-21(25-17)27-8-10-3-4-12(31-2)5-11(10)9-27/h3-7H,8-9H2,1-2H3,(H,29,30)
定義日:2019-12-20
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid
EJ6
EJ6
表記:5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide
組成式:C22 H24 Cl F N4 O5 S
SMILES:C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)c2N(C)CCOc12)C3=NNC(=O)O3)c4c(F)ccc(C)c4C
InChi:InChI=1S/C22H24ClFN4O5S/c1-11-5-7-15(24)17(12(11)2)13(3)18(21-25-26-22(29)33-21)27-34(30,31)16-8-6-14(23)19-20(16)32-10-9-28(19)4/h5-8,13,18,27H,9-10H2,1-4H3,(H,26,29)/t13-,18+/m1/s1
定義日:2019-12-27
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:5-chloranyl-~{N}-[(1~{S},2~{R})-2-(6-fluoranyl-2,3-dimethyl-phenyl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-sulfonamide
EY0
EY0
表記:3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione
組成式:C21 H24 F3 N5 O5 S
SMILES:CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)[nH]nc3C(F)(F)F)c2C(=O)N4C[C](C)(O)CO4
InChi:InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m1/s1
定義日:2020-02-18
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione
DJM
DJM
表記:2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide
組成式:C13 H15 N3 O2 S
SMILES:Cc1cc(cc(c1)C)n2ccnc2SCC(=O)NO
InChi:InChI=1S/C13H15N3O2S/c1-9-5-10(2)7-11(6-9)16-4-3-14-13(16)19-8-12(17)15-18/h3-7,18H,8H2,1-2H3,(H,15,17)
定義日:2017-10-27
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide
G5L
G5L
表記:7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid
組成式:C18 H15 N O4
SMILES:CN(Cc1ccccc1)c2ccc3C=C(C(O)=O)C(=O)Oc3c2
InChi:InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
定義日:2020-07-28
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid
G5O
G5O
表記:2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid
組成式:C20 H14 Cl N O5 S
SMILES:OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)[S](=O)(=O)c3ccccc3
InChi:InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
定義日:2020-07-28
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid
4DG
4DG
表記:2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate
組成式:C8 H12 N5 O6 P
SMILES:NC1=Nc2n(COCCO[P](O)(O)=O)cnc2C(=O)N1
InChi:InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
別名:acyclic guanosine monophosphate
定義日:2009-11-09
最終更新日:2020-12-12
識別子（ID）:2-[(2-azanyl-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate
W7S
W7S
表記:N-benzylpyrazine-2-carboxamide
組成式:C12 H11 N3 O
SMILES:c2c(CNC(c1cnccn1)=O)cccc2
InChi:InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
定義日:2020-09-29
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:N-benzylpyrazine-2-carboxamide
W7V
W7V
表記:(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
組成式:C11 H15 N3 O
SMILES:C1CCC3C1(C(N(C)c2cnnc2)=O)C3
InChi:InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1
定義日:2020-09-29
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
W7Y
W7Y
表記:4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
組成式:C14 H18 N4
SMILES:c1(ncnc2nccc12)N4C(C3CCC3)CCC4
InChi:InChI=1S/C14H18N4/c1-3-10(4-1)12-5-2-8-18(12)14-11-6-7-15-13(11)16-9-17-14/h6-7,9-10,12H,1-5,8H2,(H,15,16,17)/t12-/m1/s1
定義日:2020-09-29
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
W8A
W8A
表記:{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
組成式:C8 H12 N2 O4 S
SMILES:CC(C(N1CCNC1=O)=O)SCC(=O)O
InChi:InChI=1S/C8H12N2O4S/c1-5(15-4-6(11)12)7(13)10-3-2-9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,11,12)/t5-/m0/s1
定義日:2020-09-29
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
W8D
W8D
表記:3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine
組成式:C10 H13 N5 O
SMILES:C3(CN2C=NC(=C1N=CN=C12)N)CCCO3
InChi:InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1
定義日:2020-09-29
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine
W8J
W8J
表記:3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine
組成式:C12 H17 N5 O
SMILES:C(CN2C=NC(=C1N=CN=C12)N)CC3COCC3
InChi:InChI=1S/C12H17N5O/c13-11-10-12(15-7-14-10)17(8-16-11)4-1-2-9-3-5-18-6-9/h7-9H,1-6,13H2/t9-/m0/s1
定義日:2020-09-29
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine
X6Y
X6Y
表記:2-O-sulfo-alpha-L-fucopyranose
組成式:C6 H12 O8 S
SMILES:C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O
InChi:InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1
別名:6-deoxy-2-O-sulfo-alpha-L-galactopyranose
定義日:2020-12-01
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:6-deoxy-2-O-sulfo-alpha-L-galactopyranose
X7V
X7V
表記:N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
組成式:C32 H27 N3 O3
SMILES:c5(C(N(C(=O)c1ccco1)c3ccc(c2ccccc2)cc3)C(NC(C)c4ccccc4)=O)cnccc5
InChi:InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)/t23-,30+/m0/s1
定義日:2020-12-03
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
WTA
WTA
表記:5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine
組成式:C12 H18 N5 O7 P
SMILES:C1(C(C(O)C(COP(O)(=O)OCC)O1)O)n2c3c(nc2)c(N)ncn3
InChi:InChI=1S/C12H18N5O7P/c1-2-22-25(20,21)23-3-6-8(18)9(19)12(24-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
定義日:2020-11-06
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine
XC4
XC4
表記:1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole
組成式:C15 H10 N4 O2
SMILES:c2cc1nccc1cc2C(=O)On3c4c(nn3)cccc4
InChi:InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
定義日:2020-12-09
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole

225399

件を2024-09-25に公開中

PDB statisticsPDBj update infoContact PDBjnumon