Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
13L
13L
Name:3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide
Formula:C29 H33 N7 O2
SMILES:O=C(Nc1ccc(cc1)C(C)C)c5cccc(c3nn(c2ncnc(c23)N)C4CCCN(C(=O)CC)C4)c5
InChi:InChI=1S/C29H33N7O2/c1-4-24(37)35-14-6-9-23(16-35)36-28-25(27(30)31-17-32-28)26(34-36)20-7-5-8-21(15-20)29(38)33-22-12-10-19(11-13-22)18(2)3/h5,7-8,10-13,15,17-18,23H,4,6,9,14,16H2,1-3H3,(H,33,38)(H2,30,31,32)/t23-/m1/s1
Definition date:2012-10-03
Last modified:2024-09-27
Release date:2012-11-09
Identifier:3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide
13P
13P
Name:1,3-DIHYDROXYACETONEPHOSPHATE
Formula:C3 H7 O6 P
SMILES:O=P(O)(O)OCC(=O)CO
InChi:InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:3-hydroxy-2-oxopropyl dihydrogen phosphate
13Z
13Z
Name:2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol
Formula:C17 H29 F N4 O4
SMILES:FC1CC(N(C(=O)CNC(C)(C)CO)C1)C(O)c2nnc(o2)C(C)(C)C
InChi:InChI=1S/C17H29FN4O4/c1-16(2,3)15-21-20-14(26-15)13(25)11-6-10(18)8-22(11)12(24)7-19-17(4,5)9-23/h10-11,13,19,23,25H,6-9H2,1-5H3/t10-,11-,13+/m0/s1
Definition date:2008-02-12
Last modified:2024-09-27
Identifier:2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol
IOY
IOY
Name:P-IODO-D-PHENYLALANINE
Formula:C9 H10 I N O2
SMILES:Ic1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
Synonyms:4-IODOPHENYLALANINE
Definition date:2004-09-14
Last modified:2024-09-27
Identifier:4-iodo-D-phenylalanine
143
143
Name:S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL-3-YL-CYSTEINE
Formula:C8 H13 N3 O5 S
SMILES:O=C(O)C(C=1ONC(SCC(N)C(=O)O)C=1)N
InChi:InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h1,3,5-6,11H,2,9-10H2,(H,12,13)(H,14,15)/t3-,5+,6-/m0/s1
Synonyms:2-AMINO-3-[5-(AMINO-CARBOXY-METHYL)-2,3-DIHYDRO-ISOXAZOL-3-YLSULFANYL]-PROPIONIC ACID
Definition date:2001-09-05
Last modified:2024-09-27
Identifier:S-{(3R)-5-[(S)-amino(carboxy)methyl]-2,3-dihydroisoxazol-3-yl}-L-cysteine
IP8
IP8
Name:Isopentenyl phosphate
Formula:C5 H11 O4 P
SMILES:O=P(OCCC(=C)C)(O)O
InChi:InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)
Synonyms:3-methylbut-3-en-1-yl dihydrogen phosphate
Definition date:2009-10-21
Last modified:2024-09-27
Identifier:3-methylbut-3-en-1-yl dihydrogen phosphate
IPD
IPD
Name:D-MYO-INOSITOL-1-PHOSPHATE
Formula:C6 H11 O9 P
SMILES:O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
InChi:InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
IPG
IPG
Name:N-ISOPROPYL GLYCINE
Formula:C5 H11 N O2
SMILES:O=C(O)CNC(C)C
InChi:InChI=1S/C5H11NO2/c1-4(2)6-3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N-(1-methylethyl)glycine
IPI
IPI
Name:3-methylbutylphosphonic acid
Formula:C5 H13 O3 P
SMILES:CC(C)CC[P](O)(O)=O
InChi:InChI=1S/C5H13O3P/c1-5(2)3-4-9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
Synonyms:isoamylphosphonic acid
Definition date:2011-01-21
Last modified:2024-09-27
Identifier:3-methylbutylphosphonic acid
14U
14U
Name:(2S)-2-methyl-3-oxooctadecanoic acid
Formula:C19 H36 O3
SMILES:O=C(CCCCCCCCCCCCCCC)C(C(=O)O)C
InChi:InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19(21)22/h17H,3-16H2,1-2H3,(H,21,22)/t17-/m0/s1
Definition date:2011-06-28
Last modified:2024-09-27
Release date:2013-04-24
Identifier:(2S)-2-methyl-3-oxooctadecanoic acid
14V
14V
Name:3,5-dioxoicosanoic acid
Formula:C20 H36 O4
SMILES:O=C(CC(=O)CC(=O)O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20(23)24/h2-17H2,1H3,(H,23,24)
Definition date:2011-06-28
Last modified:2024-09-27
Release date:2013-04-24
Identifier:3,5-dioxoicosanoic acid
IPP
IPP
Name:(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID
Formula:C9 H11 I N O3 P
SMILES:Ic1ccc(cc1)CC(=O)NCP(=O)O
InChi:InChI=1S/C9H11INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4,15H,5-6H2,(H,11,12)(H,13,14)
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(R)-({[(4-iodophenyl)acetyl]amino}methyl)phosphinic acid
151
151
Name:(2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID
Formula:C19 H30 N4 O6 S
SMILES:O=C(O)C(C(C)C)C3N(C(=O)c1nc(oc1)CN2CCCC2)CCC3NS(=O)(=O)C
InChi:InChI=1S/C19H30N4O6S/c1-12(2)16(19(25)26)17-13(21-30(3,27)28)6-9-23(17)18(24)14-11-29-15(20-14)10-22-7-4-5-8-22/h11-13,16-17,21H,4-10H2,1-3H3,(H,25,26)/t13-,16+,17-/m1/s1
Definition date:2002-07-05
Last modified:2024-09-27
Identifier:(2S)-3-methyl-2-[(2S,3R)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl]butanoic acid
157
157
Name:6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE
Formula:C12 H22 N2 O2
SMILES:O=CC(CCCCC(=[N@H])N)C1CCCC1O
InChi:InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1
Synonyms:GR157368
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(1E,6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxoheptanimidamide
158
158
Name:3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID
Formula:C7 H11 N O4 S
SMILES:O=C(C(NC(=O)CS)CC(=O)O)C
InChi:InChI=1S/C7H11NO4S/c1-4(9)5(2-7(11)12)8-6(10)3-13/h5,13H,2-3H2,1H3,(H,8,10)(H,11,12)/t5-/m0/s1
Definition date:2003-01-16
Last modified:2024-09-27
Identifier:(3S)-4-oxo-3-[(sulfanylacetyl)amino]pentanoic acid
IQ8
IQ8
Name:N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
Formula:C14 H17 N3 O2 S
SMILES:CC(=O)NCCNC(=O)c1ccc(cc1)C2=NCCS2
InChi:InChI=1S/C14H17N3O2S/c1-10(18)15-6-7-16-13(19)11-2-4-12(5-3-11)14-17-8-9-20-14/h2-5H,6-9H2,1H3,(H,15,18)(H,16,19)
Definition date:2022-07-08
Last modified:2024-09-27
Release date:2023-09-27
Identifier:~{N}-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
160
160
Name:3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
Formula:C20 H24 N2 O8 S5
SMILES:O=C(c1sc(cc1)S(=O)(=O)C)NCCSSCc2cccc(c2)S(=O)(=O)NC(C(=O)C)CC(=O)O
InChi:InChI=1S/C20H24N2O8S5/c1-13(23)16(11-18(24)25)22-35(29,30)15-5-3-4-14(10-15)12-32-31-9-8-21-20(26)17-6-7-19(33-17)34(2,27)28/h3-7,10,16,22H,8-9,11-12H2,1-2H3,(H,21,26)(H,24,25)/t16-/m0/s1
Definition date:2003-01-21
Last modified:2024-09-27
Identifier:(3S)-3-({[3-({[2-({[5-(methylsulfonyl)thiophen-2-yl]carbonyl}amino)ethyl]disulfanyl}methyl)phenyl]sulfonyl}amino)-4-oxopentanoic acid
161
161
Name:5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
Formula:C20 H20 N2 O9 S
SMILES:O=C(O)c1cc(ccc1O)S(=O)(=O)NCc2ccc(C(=O)NC(C(=O)C)CC(=O)O)cc2
InChi:InChI=1S/C20H20N2O9S/c1-11(23)16(9-18(25)26)22-19(27)13-4-2-12(3-5-13)10-21-32(30,31)14-6-7-17(24)15(8-14)20(28)29/h2-8,16,21,24H,9-10H2,1H3,(H,22,27)(H,25,26)(H,28,29)/t16-/m0/s1
Definition date:2003-01-21
Last modified:2024-09-27
Identifier:5-[(4-{[(1S)-1-(carboxymethyl)-2-oxopropyl]carbamoyl}benzyl)sulfamoyl]-2-hydroxybenzoic acid
166
166
Name:6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
Formula:C22 H26 N2 O4
SMILES:O=C(O)C(C2c1cc(ccc1CC2O)c3ccc(O)cc3)CCCCC(=[N@H])N
InChi:InChI=1S/C22H26N2O4/c23-20(24)4-2-1-3-17(22(27)28)21-18-11-14(5-6-15(18)12-19(21)26)13-7-9-16(25)10-8-13/h5-11,17,19,21,25-26H,1-4,12H2,(H3,23,24)(H,27,28)/t17-,19+,21+/m1/s1
Synonyms:GR166081
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2R)-7-amino-2-[(1S,2S)-2-hydroxy-6-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoic acid
167
167
Name:6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
Formula:C23 H28 N2 O4
SMILES:O=C(O)C(C2c1ccc(cc1CC2O)c3cccc(OC)c3)CCCCC(=[N@H])N
InChi:InChI=1S/C23H28N2O4/c1-29-17-6-4-5-14(12-17)15-9-10-18-16(11-15)13-20(26)22(18)19(23(27)28)7-2-3-8-21(24)25/h4-6,9-12,19-20,22,26H,2-3,7-8,13H2,1H3,(H3,24,25)(H,27,28)/t19-,20+,22-/m1/s1
Synonyms:GR167088
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2R,7E)-7-amino-2-[(1S,2S)-2-hydroxy-5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoic acid
169
169
Name:1-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE-1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE-2-CARBOXYLIC ACID
Formula:C18 H33 N7 O5
SMILES:O=C(NC(C)(C)C)N1CCN(C(=O)NC(C(=O)O)C(C=O)CCCNC(=[N@H])N)CC1
InChi:InChI=1S/C18H33N7O5/c1-18(2,3)23-17(30)25-9-7-24(8-10-25)16(29)22-13(14(27)28)12(11-26)5-4-6-21-15(19)20/h11-13H,4-10H2,1-3H3,(H,22,29)(H,23,30)(H,27,28)(H4,19,20,21)/t12-,13-/m0/s1
Definition date:2004-01-05
Last modified:2024-09-27
Identifier:(3R)-N~2~-{[4-(tert-butylcarbamoyl)piperazin-1-yl]carbonyl}-N~6~-carbamimidoyl-3-formyl-L-lysine
16E
16E
Name:N-(16-Carboxyhexadecanoyl)-L-glutamic acid
Formula:C21 H37 N O7
SMILES:O=C(NC(C(=O)O)CCC(=O)O)CCCCCCCCCCCCCCC(=O)O
InChi:InChI=1S/C21H37NO7/c23-18(22-17(21(28)29)15-16-20(26)27)13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(24)25/h17H,1-16H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1
Definition date:2012-02-20
Last modified:2024-09-27
Release date:2013-01-04
Identifier:N-(15-carboxypentadecanoyl)-L-glutamic acid
IRK
IRK
Name:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
Formula:C21 H37 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20+/m0/s1
Definition date:2022-01-27
Last modified:2024-09-27
Release date:2022-03-02
Identifier:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
IRQ
IRQ
Name:lambda-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III)
Formula:C37 H25 F4 Ir N5 O2
SMILES:Fc1cc(F)c(c([Ir+3]c2cc(F)cc(F)c2c3ccccn3)c1)c4ccccn4.O=C5CCC(=O)N5Cc6ccc(nc6)c7ccccn7
InChi:InChI=1S/C15H13N3O2.2C11H6F2N.Ir/c19-14-6-7-15(20)18(14)10-11-4-5-13(17-9-11)12-3-1-2-8-16-12
Definition date:2022-08-27
Last modified:2024-09-27
Release date:2023-03-15
IRR
IRR
Name:N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide
Formula:C21 H35 N3 O5
SMILES:CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C=O
InChi:InChI=1S/C21H35N3O5/c1-4-5-14-9-16(14)12-29-21(28)24-18(8-13(2)3)20(27)23-17(11-25)10-15-6-7-22-19(15)26/h11,13-18H,4-10,12H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)/t14-,15+,16+,17+,18+/m1/s1
Definition date:2022-01-27
Last modified:2024-09-27
Release date:2022-02-09
Identifier:N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide

238582

數據於2025-07-09公開中

PDB statisticsPDBj update infoContact PDBjnumon