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
KTR
KTR
表記:(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
組成式:C15 H13 N O3
SMILES:O=C(O)C3c2ccc(C(=O)c1ccccc1)n2CC3
InChi:InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1
別名:Ketorolac
定義日:2012-08-30
最終更新日:2020-06-17
公開日:2012-09-14
識別子（ID）:(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
KU2
KU2
表記:2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide
組成式:C25 H25 Cl N4 O5 S
SMILES:C(CSc1c(cccc1)Cl)(N4C(C=3NC(C(=C(C(=O)NCCOc2ccccc2)N=3)O)=O)CCC4)=O
InChi:InChI=1S/C25H25ClN4O5S/c26-17-9-4-5-11-19(17)36-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-35-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1
別名:SRI-30023
定義日:2017-06-27
最終更新日:2020-06-17
公開日:2017-12-27
識別子（ID）:2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
KU3
KU3
表記:(5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone
組成式:C19 H17 F N2 O3
SMILES:CC(C)c3cc(C(N1Cc2c(C1)ccc(c2)F)=O)c(O)c4c3onc4
InChi:InChI=1S/C19H17FN2O3/c1-10(2)14-6-15(17(23)16-7-21-25-18(14)16)19(24)22-8-11-3-4-13(20)5-12(11)9-22/h3-7,10,23H,8-9H2,1-2H3
別名:(5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone
定義日:2017-01-10
最終更新日:2020-06-17
公開日:2018-01-10
識別子（ID）:(5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone
KV4
KV4
表記:5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine
組成式:C27 H31 Cl N6 O3 S
SMILES:C1(OC(C(C1O)O)n3c2ncnc(c2nc3)N)CSCCCCNCc4ccc(cc4)c5ccc(cc5)Cl
InChi:InChI=1S/C27H31ClN6O3S/c28-20-9-7-19(8-10-20)18-5-3-17(4-6-18)13-30-11-1-2-12-38-14-21-23(35)24(36)27(37-21)34-16-33-22-25(29)31-15-32-26(22)34/h3-10,15-16,21,23-24,27,30,35-36H,1-2,11-14H2,(H2,29,31,32)/t21-,23-,24-,27-/m1/s1
別名:SGC8158
定義日:2019-01-18
最終更新日:2020-06-17
公開日:2019-01-30
識別子（ID）:5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine
KZ9
KZ9
表記:(S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE
組成式:C14 H14 N2 O2 S
SMILES:O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CCC3
InChi:InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,13,17H,2,5-6H2,(H2,15,16,19)/t13-/m0/s1
別名:(4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
定義日:2010-02-26
最終更新日:2020-06-17
識別子（ID）:(4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
KZS
KZS
表記:N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine
組成式:C20 H38 N4 O2
SMILES:CCOCC1(CCC(CC1)c2nncc2CN(C)CCNC)COCC
InChi:InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23)
別名:GSK3368715
定義日:2019-01-28
最終更新日:2020-06-17
公開日:2019-07-10
識別子（ID）:N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine
L00
L00
表記:(2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine
組成式:C26 H35 Cl N6 O4 S
SMILES:O=S(=O)(N(c2nc(N(CC1CC1C)CCOC)cc(c2Cl)c3nnc(o3)C(N)(C)Cc4ccccc4)C)C
InChi:InChI=1S/C26H35ClN6O4S/c1-17-13-19(17)16-33(11-12-36-4)21-14-20(22(27)23(29-21)32(3)38(5,34)35)24-30-31-25(37-24)26(2,28)15-18-9-7-6-8-10-18/h6-10,14,17,19H,11-13,15-16,28H2,1-5H3/t17-,19+,26+/m0/s1
別名:N-(4-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-3-CHLORO-6-[(2-METHOXYETHYL){[(1S,2S)-2-METHYLCYCLO PROPYL]METHYL}AMINO]PYRIDIN-2-YL)-N-METHYLMETHANESULFONAMIDE
定義日:2006-11-10
最終更新日:2020-06-17
識別子（ID）:N-(4-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-3-chloro-6-[(2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino]pyridin-2-yl)-N-methylmethanesulfonamide
L01
L01
表記:3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE
組成式:C32 H41 N3 O4
SMILES:O=C(N(CCC)CCC)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(O)CNCc3cc(OC)ccc3
InChi:InChI=1S/C32H41N3O4/c1-4-17-35(18-5-2)32(38)27-15-10-14-26(21-27)31(37)34-29(20-24-11-7-6-8-12-24)30(36)23-33-22-25-13-9-16-28(19-25)39-3/h6-16,19,21,29-30,33,36H,4-5,17-18,20,22-23H2,1-3H3,(H,34,37)/t29-,30+/m0/s1
別名:HYDROXYETHYLAMINE BACE INHIBITOR
定義日:2006-10-19
最終更新日:2020-06-17
識別子（ID）:N'-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N,N-dipropylbenzene-1,3-dicarboxamide
L12
L12
表記:3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE
組成式:C15 H14 N2
SMILES:n1ccc(cc1)CCc3c2ccccc2nc3
InChi:InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2
別名:INHIBITOR OF P38 KINASE
定義日:2004-09-16
最終更新日:2020-06-17
識別子（ID）:3-(2-pyridin-4-ylethyl)-1H-indole
L24
L24
表記:[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID
組成式:C21 H25 N5 O6
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)CCC3Cc2c(nc(nc2NC3)N)O)CCC(=O)O
InChi:InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1
別名:LY249543
定義日:1999-12-14
最終更新日:2020-06-17
識別子（ID）:N-[(4-{2-[(6S)-2-amino-4-hydroxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)carbonyl]-L-glutamic acid
L27
L27
表記:{1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
組成式:C35 H37 N3 O6
SMILES:O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4C(=O)NC5)Cc6ccccc6
InChi:InChI=1S/C35H37N3O6/c39-31(30(17-23-9-3-1-4-10-23)38-34(42)44-25-15-16-43-22-25)19-35(18-24-11-5-2-6-12-24)32(40)29(21-37-35)28-20-36-33(41)27-14-8-7-13-26(27)28/h1-14,21,25,28,30-31,37,39H,15-20,22H2,(H,36,41)(H,38,42)/t25-,28+,30-,31-,35-/m0/s1
別名:LDC271 INHIBITOR
定義日:2003-01-22
最終更新日:2020-06-17
識別子（ID）:(3S)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-3-oxo-4-[(4R)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate
L2H
L2H
表記:(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione
組成式:C32 H34 N10 O8
SMILES:O=C5NC(c1nc(c(o1)C)c2oc(c(n2)c3occ(n3)C(=O)NC(c7nc(c4nc(co4)c6nc5co6)co7)CCCCN)C)CCCCN
InChi:InChI=1S/C32H34N10O8/c1-15-23-31-38-20(12-48-31)26(44)35-17(7-3-5-9-33)27-39-22(13-46-27)29-40-21(14-47-29)28-37-19(11-45-28)25(43)36-18(8-4-6-10-34)30-41-24(16(2)49-30)32(42-23)50-15/h11-14,17-18H,3-10,33-34H2,1-2H3,(H,35,44)(H,36,43)/t17-,18-/m0/s1
別名:Telomestatin derivative
定義日:2013-08-12
最終更新日:2020-06-17
公開日:2013-08-28
識別子（ID）:(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2.1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione
L34
L34
表記:4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID
組成式:C20 H21 N7 O7
SMILES:O=C(O)C(NC(=O)c4ccc(N3C(=O)N2c1c(nc(nc1O)N)NCC2C3)cc4)CCC(=O)O
InChi:InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1
別名:LY345899
定義日:1999-12-15
最終更新日:2020-06-17
識別子（ID）:N-({4-[(6aR)-3-amino-1-hydroxy-9-oxo-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid
L4A
L4A
表記:2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid
組成式:C8 H11 N O5
SMILES:c1(oc(c(n1)C(=O)O)CCO)CCO
InChi:InChI=1S/C8H11NO5/c10-3-1-5-7(8(12)13)9-6(14-5)2-4-11/h10-11H,1-4H2,(H,12,13)
別名:Clavulanic Acid, opened form
定義日:2019-02-06
最終更新日:2020-06-17
公開日:2019-12-11
識別子（ID）:2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid
L4P
L4P
表記:3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL
組成式:C46 H95 O8 P
SMILES:O=P(O)(OCC(O)CO)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChi:InChI=1S/C46H95O8P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-51-35-46(36-54-55(49,50)53-34-45(48)33-47)52-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-48H,11-36H2,1-10H3,(H,49,50)/t39-,40?,41-,42?,43-,44-,45-,46+/m1/s1
別名:2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL
定義日:1999-09-22
最終更新日:2020-06-17
識別子（ID）:(2R)-2,3-dihydroxypropyl (2S)-2-{[(3R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl hydrogen (R)-phosphate
F3H
F3H
表記:1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol
組成式:C11 H16 F N2 O8 P
SMILES:O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O
InChi:InChI=1S/C11H16FN2O8P/c1-5-2-14(11(17)13-10(5)16)6-3-21-7(9(15)8(6)12)4-22-23(18,19)20/h2,6-9,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8+,9-/m1/s1
別名:1,5-anhydro-2,3-dideoxy-3-fluoro-2-(thymin-1-yl)-D-altritol-5-dihydrogenphosphate
定義日:2011-01-04
最終更新日:2020-06-17
識別子（ID）:1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol
F4M
F4M
表記:1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol
組成式:C31 H45 N6 O17 P
SMILES:O=C2N=C(N)NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C
InChi:InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17+,18-,19-,20-,22?,24+,25-,26-,30+/m1/s1
別名:N5-formyl-tetrahydromethanopterin
定義日:2012-09-20
最終更新日:2020-06-17
公開日:2012-10-26
識別子（ID）:1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol
F5P
F5P
表記:(2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
組成式:C17 H28 N4 O15 P2
SMILES:C(OP(OP(OC1C(NC(C)=O)C(C(N)C(C)O1)O)(O)=O)(O)=O)C3C(C(C(N2C(NC(=O)C=C2)=O)O3)O)O
InChi:InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1
別名:UDP-4-amino-4,6-dideoxy-L-AltNAc
定義日:2018-02-28
最終更新日:2020-06-17
公開日:2018-10-17
識別子（ID）:(2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
F6F
F6F
表記:2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE
組成式:C10 H11 F3 N O6 P
SMILES:FC(F)(F)Oc1ccc(cc1)C(=O)NCCOP(=O)(O)O
InChi:InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18)
別名:N-(4'-TRIFLUOROMETHOXYBENZOYL)-2-AMINO-1-ETHYLPHOSPHATE, F6
定義日:2004-08-04
最終更新日:2020-06-17
識別子（ID）:2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate
F83
F83
表記:(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
組成式:C16 H17 Cl N2 O3 S
SMILES:Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO
InChi:InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2/t15-/m1/s1
別名:3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
定義日:2006-03-09
最終更新日:2020-06-17
識別子（ID）:(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
F8P
F8P
表記:2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
組成式:C19 H16 F2 N2 O4
SMILES:c4(c(cc3c(Oc2ccc(C1CCC(F)(CC1)F)cc2C3=O)n4)C(O)=O)N
InChi:InChI=1S/C19H16F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-2,7-9H,3-6H2,(H2,22,23)(H,25,26)
別名:7-(4,4-difluorocyclohexyl) Analog of Amlexanox
定義日:2018-03-15
最終更新日:2020-06-17
公開日:2018-12-05
識別子（ID）:2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
F8S
F8S
表記:2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
組成式:C18 H16 N2 O6 S
SMILES:c4(c(cc3c(Oc1c(cc(cc1)C2CCS(CC2)(=O)=O)C3=O)n4)C(O)=O)N
InChi:InChI=1S/C18H16N2O6S/c19-16-13(18(22)23)8-12-15(21)11-7-10(1-2-14(11)26-17(12)20-16)9-3-5-27(24,25)6-4-9/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)
別名:7-[1,1-bis(oxidanylidene)thian-4-yl Analog of Amlexanox
定義日:2018-03-15
最終更新日:2020-06-17
公開日:2018-12-05
識別子（ID）:2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
F94
F94
表記:7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one
組成式:C15 H10 O4
SMILES:O=C1c3c(OC(=C1)c2cccc(O)c2)cc(O)cc3
InChi:InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H
別名:7,3-dihydroxyflavone
定義日:2012-10-23
最終更新日:2020-06-17
公開日:2012-10-26
識別子（ID）:7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one
F9F
F9F
表記:2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE
組成式:C9 H11 F3 N O7 P S
SMILES:FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP(=O)(O)O
InChi:InChI=1S/C9H11F3NO7PS/c10-9(11,12)20-7-1-3-8(4-2-7)22(17,18)13-5-6-19-21(14,15)16/h1-4,13H,5-6H2,(H2,14,15,16)
別名:N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9
定義日:2004-08-04
最終更新日:2020-06-17
識別子（ID）:2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate
F9P
F9P
表記:N-hydroxycyclohexanecarboxamide
組成式:C7 H13 N O2
SMILES:C1CCCCC1C(NO)=O
InChi:InChI=1S/C7H13NO2/c9-7(8-10)6-4-2-1-3-5-6/h6,10H,1-5H2,(H,8,9)
別名:cyclohexylhydroxamate
定義日:2018-03-22
最終更新日:2020-06-17
公開日:2018-05-30
識別子（ID）:N-hydroxycyclohexanecarboxamide

246031

件を2025-12-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon