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2KT
2KT
Name:2-KETOBUTYRIC ACID
Formula:C4 H6 O3
SMILES:O=C(C(=O)O)CC
InChi:InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
Synonyms:2-OXOBUTANOIC ACID
Definition date:2003-12-10
Last modified:2024-09-27
Identifier:2-oxobutanoic acid
LMR
LMR
Name:(2S)-2-hydroxybutanedioic acid
Formula:C4 H6 O5
SMILES:O=C(O)CC(O)C(=O)O
InChi:InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
Synonyms:L-Malate
Definition date:2008-03-24
Last modified:2024-09-27
Identifier:(2S)-2-hydroxybutanedioic acid
2KY
2KY
Name:(2S)-amino(cyclopentyl)ethanoic acid
Formula:C7 H13 N O2
SMILES:O=C(O)C(N)C1CCCC1
InChi:InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
Definition date:2013-11-22
Last modified:2024-09-27
Release date:2018-02-28
Identifier:(2S)-amino(cyclopentyl)ethanoic acid
2L0
2L0
Name:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide
Formula:C29 H49 N3 O6
SMILES:O=C(NC(CC(C)C)C(O)C(C)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:InChI=1S/C29H49N3O6/c1-18(2)13-23(26(34)21(7)16-33)30-27(35)24(14-19(3)4)31-28(36)25(15-20(5)6)32-29(37)38-17-22-11-9-8-10-12-22/h8-12,18-21,23-26,33-34H,13-17H2,1-7H3,(H,30,35)(H,31,36)(H,32,37)/t21-,23+,24+,25+,26+/m1/s1
Synonyms:PHQ-LEU-LEU-LEU-EPOXYKETONE, bound form
Definition date:2013-11-25
Last modified:2024-09-27
Release date:2014-02-12
Identifier:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide
LN1
LN1
Name:(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
Formula:C22 H22 N2 O9 S
SMILES:O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1ccccn12)C=O)Cc3ccc(O)c(O)c3
InChi:InChI=1S/C22H22N2O9S/c1-22(34(31)32,12-33-18(28)9-13-5-6-16(26)17(27)8-13)19(21(29)30)23-20-14(11-25)10-15-4-2-3-7-24(15)20/h2-8,10-11,19,23,26-27H,9,12H2,1H3,(H,29,30)(H,31,32)/t19-,22-/m0/s1
Definition date:2008-05-15
Last modified:2024-09-27
Identifier:(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
2L4
2L4
Name:1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Formula:C11 H16 N4 O7
SMILES:O=C1NC(NCC(O)C(O)C(O)CO)=C(N=CC=O)C(=O)N1
InChi:InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1
Synonyms:5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
Definition date:2013-11-25
Last modified:2024-09-27
Release date:2014-04-16
Identifier:1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
2L5
2L5
Name:2-chloro-L-phenylalanine
Formula:C9 H10 Cl N O2
SMILES:Clc1ccccc1CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:2013-11-25
Last modified:2024-09-27
Release date:2014-10-15
Identifier:2-chloro-L-phenylalanine
2L6
2L6
Name:(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
Formula:C12 H16 N2 O3
SMILES:O=C(O)C3N2C(=O)C1(NCCC1)C=CC2CC3
InChi:InChI=1S/C12H16N2O3/c15-10(16)9-3-2-8-4-6-12(5-1-7-13-12)11(17)14(8)9/h4,6,8-9,13H,1-3,5,7H2,(H,15,16)/t8-,9-,12+/m0/s1
Definition date:2013-11-25
Last modified:2024-09-27
Release date:2014-10-15
Identifier:(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
LN5
LN5
Name:N5-(1-iminopropyl)-L-ornithine
Formula:C8 H17 N3 O2
SMILES:O=C(O)C(N)CCCNC(=[N@H])CC
InChi:InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1
Synonyms:(2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid
Definition date:2009-07-07
Last modified:2024-09-27
Identifier:N~5~-[(1Z)-propanimidoyl]-L-ornithine
LN7
LN7
Name:N~5~-[(1S)-1-aminopentyl]-L-ornithine
Formula:C10 H23 N3 O2
SMILES:O=C(O)C(N)CCCNC(N)CCCC
InChi:InChI=1S/C10H23N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8-9,13H,2-7,11-12H2,1H3,(H,14,15)/t8-,9-/m0/s1
Definition date:2010-10-20
Last modified:2024-09-27
Identifier:N~5~-[(1S)-1-aminopentyl]-L-ornithine
LNG
LNG
Name:Delta-3isotetradecenoic acid
Formula:C14 H26 O2
SMILES:O=C(O)CC=C/CCCCCCCC(C)C
InChi:InChI=1S/C14H26O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,15,16)/b10-8-
Definition date:2004-07-16
Last modified:2024-09-27
Identifier:(3Z)-12-methyltridec-3-enoic acid
2LJ
2LJ
Name:1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Formula:C12 H20 N4 O6
SMILES:C1(=O)NC(NC(=C1N=CCC)NCC(O)C(O)C(O)CO)=O
InChi:InChI=1S/C12H20N4O6/c1-2-3-13-8-10(15-12(22)16-11(8)21)14-4-6(18)9(20)7(19)5-17/h3,6-7,9,17-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t6-,7+,9-/m0/s1
Synonyms:5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
Definition date:2013-11-27
Last modified:2024-09-27
Release date:2014-04-16
Identifier:1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
LNK
LNK
Name:PENTANE
Formula:C5 H12
SMILES:CCCCC
InChi:InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
Definition date:2001-05-15
Last modified:2024-09-27
Identifier:pentane
2LR
2LR
Name:N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide
Formula:C29 H47 N3 O6
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(O)C2(OC2)C)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C29H47N3O6/c1-18(2)13-22(25(33)29(7)17-38-29)30-26(34)23(14-19(3)4)31-27(35)24(15-20(5)6)32-28(36)37-16-21-11-9-8-10-12-21/h8-12,18-20,22-25,33H,13-17H2,1-7H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24-,25+,29+/m0/s1
Synonyms:PHQ-LEU-LEU-LEU-EPOXYKETONE, unbound form
Definition date:2013-11-28
Last modified:2024-09-27
Release date:2014-02-12
Identifier:N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide
2LT
2LT
Name:3,5-dichloro-L-tyrosine
Formula:C9 H9 Cl2 N O3
SMILES:Clc1cc(cc(Cl)c1O)CC(C(=O)O)N
InChi:InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
Definition date:2013-12-18
Last modified:2024-09-27
Release date:2014-09-24
Identifier:3,5-dichloro-L-tyrosine
LNR
LNR
Name:L-NOREPINEPHRINE
Formula:C8 H11 N O3
SMILES:Oc1ccc(cc1O)C(O)CN
InChi:InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
Synonyms:NORADRENALINE
Definition date:2001-03-28
Last modified:2024-09-27
Identifier:4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
2LV
2LV
Name:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide
Formula:C33 H48 N4 O6
SMILES:O=C(Nc1ccccc1)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C33H48N4O6/c1-21(2)17-26(29(38)32(41)34-25-15-11-8-12-16-25)35-30(39)27(18-22(3)4)36-31(40)28(19-23(5)6)37-33(42)43-20-24-13-9-7-10-14-24/h7-16,21-23,26-29,38H,17-20H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t26-,27-,28-,29-/m0/s1
Synonyms:PHQ-Leu-Leu-Leu-ketoamide, bound form
Definition date:2013-11-29
Last modified:2024-09-27
Release date:2014-02-12
Identifier:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide
LNT
LNT
Name:N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine
Formula:C10 H22 N2 O5
SMILES:O=C(O)C(NC(O)(O)C(N)CC(C)C)C(O)C
InChi:InChI=1S/C10H22N2O5/c1-5(2)4-7(11)10(16,17)12-8(6(3)13)9(14)15/h5-8,12-13,16-17H,4,11H2,1-3H3,(H,14,15)/t6-,7+,8+/m1/s1
Definition date:2007-11-07
Last modified:2024-09-27
Identifier:N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine
LOH
LOH
Name:3,4-dihydroxylysine
Formula:C6 H14 N2 O4
SMILES:NCC[CH](O)[CH](O)[CH](N)C(O)=O
InChi:InChI=1S/C6H14N2O4/c7-2-1-3(9)5(10)4(8)6(11)12/h3-5,9-10H,1-2,7-8H2,(H,11,12)/t3-,4-,5+/m0/s1
Definition date:2017-09-08
Last modified:2024-09-27
Release date:2018-06-27
Identifier:(2~{S},3~{S},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid
51K
51K
Name:2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole
Formula:C14 H9 F6 N5 O
SMILES:FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nn(cn2)CCc3nnco3
InChi:InChI=1S/C14H9F6N5O/c15-13(16,17)9-3-8(4-10(5-9)14(18,19)20)12-21-6-25(24-12)2-1-11-23-22-7-26-11/h3-7H,1-2H2
Synonyms:KPT-251
Definition date:2012-08-23
Last modified:2024-09-27
Release date:2012-08-31
Identifier:2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole
51T
51T
Name:2,3,6-trifluoro-L-tyrosine
Formula:C9 H8 F3 N O3
SMILES:NC(Cc1c(cc(c(c1F)F)O)F)C(=O)O
InChi:InChI=1S/C9H8F3NO3/c10-4-2-6(14)8(12)7(11)3(4)1-5(13)9(15)16/h2,5,14H,1,13H2,(H,15,16)/t5-/m0/s1
Definition date:2015-07-13
Last modified:2024-09-27
Release date:2016-06-22
Identifier:2,3,6-trifluoro-L-tyrosine
LOR
LOR
Name:LORACABEF (Open form)
Formula:C16 H18 Cl N3 O4
SMILES:O=C(O)C2=NC(C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl
InChi:InChI=1S/C16H18ClN3O4/c17-10-6-7-11(19-14(10)16(23)24)12(8-21)20-15(22)13(18)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7,18H2,(H,20,22)(H,23,24)/t10-,11+,12+,13+/m0/s1
Synonyms:(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid
Definition date:2000-08-11
Last modified:2024-09-27
Identifier:(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid
LOU
LOU
Name:3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine
Formula:C13 H16 N2 O7
SMILES:C(CN1C(C2C(C1=O)C3OC2(CC(N)C(=O)O)CC3)=O)(=O)O
InChi:InChI=1S/C13H16N2O7/c14-5(12(20)21)3-13-2-1-6(22-13)8-9(13)11(19)15(10(8)18)4-7(16)17/h5-6,8-9H,1-4,14H2,(H,16,17)(H,20,21)/t5-,6-,8+,9-,13-/m0/s1
Definition date:2019-07-01
Last modified:2024-09-27
Release date:2019-10-16
Identifier:3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine
LOV
LOV
Name:5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
Formula:C12 H25 N O3
SMILES:O=C(O)C(C(C)C)CC(O)C(N)CC(C)C
InChi:InChI=1S/C12H25NO3/c1-7(2)5-10(13)11(14)6-9(8(3)4)12(15)16/h7-11,14H,5-6,13H2,1-4H3,(H,15,16)/t9-,10-,11-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2S,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(propan-2-yl)octanoic acid
523
523
Name:2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE)
Formula:C10 H19 N3 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC([N+]=1C(=O)NC(N)=C(C=1)C)CC2O
InChi:InChI=1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H6,11,12,15,16,17,18,19,20,21,22)/p+1/t6-,7+,8+/m0/s1
Synonyms:5-METHYL-2'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE
Definition date:2007-01-22
Last modified:2024-09-27
Identifier:2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate)

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