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
A80
A80
表記:4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
組成式:C22 H25 N O3
SMILES:O=C(O)c1ccc(cc1)C(=O)Nc2ccc3c(c2)C(CCC3(C)C)(C)C
InChi:InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
定義日:1999-07-08
最終更新日:2011-09-26
識別子（ID）:4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
MFM
MFM
表記:(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID
組成式:C17 H12 Cl N O4 S2
SMILES:S=C1S/C(C(=O)N1CCC(=O)O)=C/c3oc(c2ccc(Cl)cc2)cc3
InChi:InChI=1S/C17H12ClNO4S2/c18-11-3-1-10(2-4-11)13-6-5-12(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/b14-9+
定義日:2005-06-15
最終更新日:2011-09-26
識別子（ID）:3-[(5E)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
9Y9
9Y9
表記:tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
組成式:C25 H33 F N2 O5 S
SMILES:O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CN3CC(Cc2c(ccc(F)c2)S3(=O)=O)C
InChi:InChI=1S/C25H33FN2O5S/c1-17-12-19-14-20(26)10-11-23(19)34(31,32)28(15-17)16-22(29)21(13-18-8-6-5-7-9-18)27-24(30)33-25(2,3)4/h5-11,14,17,21-22,29H,12-13,15-16H2,1-4H3,(H,27,30)/t17-,21-,22+/m0/s1
定義日:2011-08-24
最終更新日:2011-09-23
識別子（ID）:tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
TPT
TPT
表記:2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride
組成式:C15 H11 Cl N3 Pt
SMILES:Cl[Pt+]35n1ccccc1c4cccc(c2ccccn23)n45
InChi:InChI=1S/C15H11N3.ClH.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13
定義日:1999-10-07
最終更新日:2011-09-23
識別子（ID）:chloro(2,2':6',2''-terpyridine-kappa~3~N~1~,N~1'~,N~1''~)platinum(1+)
BTJ
BTJ
表記:N-[(2-{2-[(N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-L-phenylalanyl-N~6~-hex-5-ynoyllysinamide
組成式:C54 H67 N7 O11
SMILES:O=C(N)C(NC(=O)C(NC(=O)COCCOCCNC(=O)C(NC(=O)C(O)C(N)Cc2ccc(OCc1ccccc1)cc2)C)Cc4ccc(C(=O)c3ccccc3)cc4)CCCCNC(=O)CCCC#C
InChi:InChI=1S/C54H67N7O11/c1-3-4-7-19-47(62)57-28-13-12-18-45(51(56)66)61-53(68)46(34-39-20-24-42(25-21-39)49(64)41-16-10-6-11-17-41)60-48(63)36-71-32-31-70-30-29-58-52(67)37(2)59-54(69)50(65)44(55)33-38-22-26-43(27-23-38)72-35-40-14-8-5-9-15-40/h1,5-6,8-11,14-17,20-27,37,44-46,50,65H,4,7,12-13,18-19,28-36,55H2,2H3,(H2,56,66)(H,57,62)(H,58,67)(H,59,69)(H,60,63)(H,61,68)/t37-,44+,45?,46+,50+/m0/s1
定義日:2011-08-29
最終更新日:2011-09-23
識別子（ID）:N-[(2-{2-[(N-{(2R,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-L-phenylalanyl-N~6~-hex-5-ynoyllysinamide
JK4
JK4
表記:6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
組成式:C21 H26 F4 N4 O
SMILES:Fc1cccc(c1F)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:InChI=1S/C21H26F4N4O/c1-13-7-15(29-19(26)8-13)9-14-10-28-11-18(14)30-6-5-27-12-21(24,25)16-3-2-4-17(22)20(16)23/h2-4,7-8,14,18,27-28H,5-6,9-12H2,1H3,(H2,26,29)/t14-,18+/m1/s1
定義日:2011-07-25
最終更新日:2011-09-23
識別子（ID）:6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
JK5
JK5
表記:6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
組成式:C21 H26 Cl F3 N4 O
SMILES:Fc1cc(cc(Cl)c1)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:InChI=1S/C21H26ClF3N4O/c1-13-4-18(29-20(26)5-13)6-14-10-28-11-19(14)30-3-2-27-12-21(24,25)15-7-16(22)9-17(23)8-15/h4-5,7-9,14,19,27-28H,2-3,6,10-12H2,1H3,(H2,26,29)/t14-,19+/m1/s1
定義日:2011-07-25
最終更新日:2011-09-23
識別子（ID）:6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
3SB
3SB
表記:(2S)-2-amino-N'-[(1E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide
組成式:C16 H17 N3 O3
SMILES:O=C(N/N=C/c1c(cc(O)cc1O)C)C(c2ccccc2)N
InChi:InChI=1S/C16H17N3O3/c1-10-7-12(20)8-14(21)13(10)9-18-19-16(22)15(17)11-5-3-2-4-6-11/h2-9,15,20-21H,17H2,1H3,(H,19,22)/b18-9+/t15-/m0/s1
定義日:2010-09-30
最終更新日:2011-09-23
識別子（ID）:(2S)-2-amino-N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide
4SB
4SB
表記:(2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide
組成式:C17 H18 Br N3 O2
SMILES:Brc2cc(/C=N/NC(=O)C(c1ccccc1)CCN)ccc2O
InChi:InChI=1S/C17H18BrN3O2/c18-15-10-12(6-7-16(15)22)11-20-21-17(23)14(8-9-19)13-4-2-1-3-5-13/h1-7,10-11,14,22H,8-9,19H2,(H,21,23)/b20-11+/t14-/m1/s1
定義日:2010-10-01
最終更新日:2011-09-23
識別子（ID）:(2R)-4-amino-N'-[(E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide
NDV
NDV
表記:(2S,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C16 H21 N3 O4 S
SMILES:O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N
InChi:InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12+,14+/m1/s1
定義日:2010-10-07
最終更新日:2011-09-23
識別子（ID）:(2S,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
84A
84A
表記:p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
組成式:C18 H8 Fe N4 O2 S
SMILES:O=S(=O)(c1ccc(cc1)n2nncc2C3%11C%13=C%12C5=C34)N
InChi:InChI=1S/C13H7N4O2S.C5H.Fe/c14-20(18,19)12-7-5-11(6-8-12)17-13(9-15-16-17)10-3-1-2-4-10
定義日:2010-11-01
最終更新日:2011-09-23
識別子（ID）:[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-5-yl]cyclopentadienyl}iron
OAE
OAE
表記:(2S,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C16 H21 N3 O5 S
SMILES:O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N
InChi:InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13+/m1/s1
定義日:2011-04-01
最終更新日:2011-09-23
識別子（ID）:(2S,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
DGZ
DGZ
表記:N-((2R,3S,6S,18S,21S)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide
組成式:C57 H67 N7 O10
SMILES:O=C(N)C(NC(=O)C(NC(=O)COCCOCCNC(=O)C(NC(=O)C(O)C(N)Cc1ccccc1)Cc3cc2ccccc2cc3)Cc4ccc(cc4)C(=O)c5ccccc5)CCCCNC(=O)CCCC#C
InChi:InChI=1S/C57H67N7O10/c1-2-3-6-22-50(65)60-29-14-13-21-47(54(59)69)63-56(71)49(36-40-23-27-44(28-24-40)52(67)43-18-9-5-10-19-43)62-51(66)38-74-33-32-73-31-30-61-55(70)48(37-41-25-26-42-17-11-12-20-45(42)34-41)64-57(72)53(68)46(58)35-39-15-7-4-8-16-39/h1,4-5,7-12,15-20,23-28,34,46-49,53,68H,3,6,13-14,21-22,29-33,35-38,58H2,(H2,59,69)(H,60,65)(H,61,70)(H,62,66)(H,63,71)(H,64,72)/t46-,47+,48+,49+,53+/m1/s1
定義日:2011-08-29
最終更新日:2011-09-23
識別子（ID）:(2S,5S,17S,20S,21R)-21-amino-5-(4-benzoylbenzyl)-2-[4-(hex-5-ynoylamino)butyl]-20-hydroxy-17-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-22-phenyl-9,12-dioxa-3,6,15,18-tetraazadocosan-1-amide (non-preferred name)
SMA
SMA
表記:STIGMATELLIN A
組成式:C30 H42 O7
SMILES:CO[CH](C=CC=CC(C)=CC)[CH](C)[CH](OC)[CH](C)CCC1=C(C)C(=O)c2c(OC)cc(OC)c(O)c2O1
InChi:InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12?,18-10+/t19-,21+,22-,29-/m0/s1
定義日:1999-07-08
最終更新日:2011-09-20
識別子（ID）:2-[(3S,4S,5S,6S,9E,11E)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl]-5,7-dimethoxy-3-methyl-8-oxidanyl-chromen-4-one
XXB
XXB
表記:1-butyl-1H-pyrazole-5-carboxylic acid
組成式:C8 H12 N2 O2
SMILES:O=C(O)c1ccnn1CCCC
InChi:InChI=1S/C8H12N2O2/c1-2-3-6-10-7(8(11)12)4-5-9-10/h4-5H,2-3,6H2,1H3,(H,11,12)
定義日:2011-09-07
最終更新日:2011-09-16
識別子（ID）:1-butyl-1H-pyrazole-5-carboxylic acid
YEG
YEG
表記:cyclopentanol
組成式:C5 H10 O
SMILES:OC1CCCC1
InChi:InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
定義日:2011-05-04
最終更新日:2011-09-16
識別子（ID）:cyclopentanol
RSG
RSG
表記:(3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol
組成式:C6 H10 O3
SMILES:OC1COC2OCCC12
InChi:InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m1/s1
定義日:2011-05-04
最終更新日:2011-09-16
識別子（ID）:(3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol
TE7
TE7
表記:5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one
組成式:C19 H20 N4 O2
SMILES:O=C2c1c(ccc(OC)c1)n3c4c2c(NCCN(C)C)ccc4nc3
InChi:InChI=1S/C19H20N4O2/c1-22(2)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(25-3)4-7-16(13)23(18)11-21-15/h4-7,10-11,20H,8-9H2,1-3H3
定義日:2011-08-15
最終更新日:2011-09-16
識別子（ID）:5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one
1SB
1SB
表記:N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
組成式:C16 H16 N2 O3
SMILES:O=C(N/N=C/c1ccc(O)cc1)Cc2cc(OC)ccc2
InChi:InChI=1S/C16H16N2O3/c1-21-15-4-2-3-13(9-15)10-16(20)18-17-11-12-5-7-14(19)8-6-12/h2-9,11,19H,10H2,1H3,(H,18,20)/b17-11+
定義日:2010-09-20
最終更新日:2011-09-16
識別子（ID）:N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
BUD
BUD
表記:(2S,3S)-butane-2,3-diol
組成式:C4 H10 O2
SMILES:OC(C)C(O)C
InChi:InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
定義日:2010-09-20
最終更新日:2011-09-16
識別子（ID）:(2S,3S)-butane-2,3-diol
2SB
2SB
表記:(2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide
組成式:C15 H14 Br N3 O2
SMILES:Brc2cc(/C=N/NC(=O)C(c1ccccc1)N)ccc2O
InChi:InChI=1S/C15H14BrN3O2/c16-12-8-10(6-7-13(12)20)9-18-19-15(21)14(17)11-4-2-1-3-5-11/h1-9,14,20H,17H2,(H,19,21)/b18-9+/t14-/m0/s1
定義日:2010-09-22
最終更新日:2011-09-16
識別子（ID）:(2S)-2-amino-N'-[(E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide
JS6
JS6
表記:(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside
組成式:C33 H58 N6 O14
SMILES:O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C5OC(C(OC3OC(CN)C(O)C(O)C3N)C5OCCNCCc4ccccc4)CO
InChi:InChI=1S/C33H58N6O14/c34-11-17-23(43)25(45)20(37)31(48-17)52-28-19(13-41)50-33(30(28)47-9-8-39-7-6-14-4-2-1-3-5-14)53-29-22(42)15(35)10-16(36)27(29)51-32-21(38)26(46)24(44)18(12-40)49-32/h1-5,15-33,39-46H,6-13,34-38H2/t15-,16+,17+,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+/m1/s1
定義日:2011-06-01
最終更新日:2011-09-16
識別子（ID）:(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside
498
498
表記:p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
組成式:C18 H8 N4 O2 Ru S
SMILES:O=S(=O)(c1ccc(cc1)n2nncc2C3%11C%13=C%12C5=C34)N
InChi:InChI=1S/C13H7N4O2S.C5H.Ru/c14-20(18,19)12-7-5-11(6-8-12)17-13(9-15-16-17)10-3-1-2-4-10
定義日:2010-11-01
最終更新日:2011-09-16
識別子（ID）:[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-5-yl]cyclopentadienyl}ruthenium
3QU
3QU
表記:4-(4-nitrobenzyl)pyridine
組成式:C12 H10 N2 O2
SMILES:[O-][N+](=O)c1ccc(cc1)Cc2ccncc2
InChi:InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2
定義日:2011-02-25
最終更新日:2011-09-16
識別子（ID）:4-(4-nitrobenzyl)pyridine
3TF
3TF
表記:(2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate
組成式:C43 H80 O10
SMILES:O=C(OCC(OC(=O)CCCCCCCCCC=C/CCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCCCCC
InChi:InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,36-37,40-44,47-49H,3-12,14,16-35H2,1-2H3/b15-13-/t36-,37-,40-,41+,42-,43+/m1/s1
定義日:2011-08-02
最終更新日:2011-09-16
識別子（ID）:(2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate

234136

件を2025-04-02に公開中

PDB statisticsPDBj update infoContact PDBjnumon