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
2YD
2YD
Name:(5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one
Formula:C29 H44 O6
SMILES:O=C1C(=C2OC3(O)C(CC(CC(=CC(C)CCC4OC(C(=C1O)C2C3)C(C)C(O)C4C)C)C)C)C
InChi:InChI=1S/C29H44O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,14,16-19,21-22,24,28,30,32-33H,8-9,11-13H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,21+,22+,24-,28+,29+/m0/s1
Synonyms:Kendomycin
Definition date:2014-05-01
Last modified:2024-09-27
Release date:2014-07-30
Identifier:(5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one
2YI
2YI
Name:methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
Formula:C27 H32 Br N3 O5
SMILES:CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3)C(=O)OC
InChi:InChI=1S/C27H32BrN3O5/c1-4-27(5-2,18-32)26(35)29-23-15-20(14-21(16-23)25(34)36-3)24(33)31-12-10-30(11-13-31)17-19-6-8-22(28)9-7-19/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,29,35)
Definition date:2021-06-23
Last modified:2024-09-27
Release date:2021-07-07
Identifier:methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
2YR
2YR
Name:2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)
Formula:C11 H18 N3 O7 P S
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(NCCS)C=C1)CC2O
InChi:InChI=1S/C11H18N3O7PS/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9(12-2-4-23)13-11(14)16/h1,3,7-8,10,15,23H,2,4-6H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,10+/m0/s1
Definition date:2014-04-28
Last modified:2024-09-27
Release date:2014-05-21
Identifier:2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)
2YS
2YS
Name:D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide
Formula:C18 H37 Cl N4 O3
SMILES:O=C(NC(CCCCN)C(O)CCl)C(NC(=O)C(N)C(C)C)CC(C)C
InChi:InChI=1S/C18H37ClN4O3/c1-11(2)9-14(23-18(26)16(21)12(3)4)17(25)22-13(15(24)10-19)7-5-6-8-20/h11-16,24H,5-10,20-21H2,1-4H3,(H,22,25)(H,23,26)/t13-,14-,15+,16+/m0/s1
Synonyms:D-VAL-LEU-LYS-chloromethylketone
Definition date:2014-04-29
Last modified:2024-09-27
Release date:2014-09-03
Identifier:D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide
2YT
2YT
Name:L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
Formula:C25 H35 Cl N6 O3
SMILES:ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N
InChi:InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20-,21-,22+/m0/s1
Synonyms:PHE-PHE-ARG-chloromethylketone
Definition date:2014-04-29
Last modified:2024-09-27
Release date:2014-09-03
Identifier:L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
2Z0
2Z0
Name:N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide
Formula:C26 H37 Cl N7 O7 S
SMILES:ClCC(=O)C(NC(=O)CNC(=O)C(NS(=O)(=O)c2ccc1c(cccc1N(C)C)c2)CCC(=O)O)CCCNC(=[NH2+])N
InChi:InChI=1S/C26H36ClN7O7S/c1-34(2)21-7-3-5-16-13-17(8-9-18(16)21)42(40,41)33-20(10-11-24(37)38)25(39)31-15-23(36)32-19(22(35)14-27)6-4-12-30-26(28)29/h3,5,7-9,13,19-20,33H,4,6,10-12,14-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/p+1/t19-,20-/m0/s1
Synonyms:dansyl-Glu-Gly-Arg-chloromethyl-ketone
Definition date:2008-08-28
Last modified:2024-09-27
Identifier:N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-oxohexan-3-yl]glycinamide
2ZC
2ZC
Name:O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine
Formula:C11 H16 N2 O5 S
SMILES:O=C(O)C(N)COS(=O)(=O)c1ccc(cc1)CCN
InChi:InChI=1S/C11H16N2O5S/c12-6-5-8-1-3-9(4-2-8)19(16,17)18-7-10(13)11(14)15/h1-4,10H,5-7,12-13H2,(H,14,15)/t10-/m0/s1
Definition date:2014-05-01
Last modified:2024-09-27
Release date:2014-05-14
Identifier:O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine
2ZF
2ZF
Name:N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide
Formula:C21 H33 F2 N3 O9
SMILES:O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C(=O)C(=O)O)CC(F)F)CC(C)C)CCC(=O)O
InChi:InChI=1S/C21H33F2N3O9/c1-10(2)8-13(18(31)24-12(9-14(22)23)16(29)19(32)33)25-17(30)11(6-7-15(27)28)26-20(34)35-21(3,4)5/h10-14H,6-9H2,1-5H3,(H,24,31)(H,25,30)(H,26,34)(H,27,28)(H,32,33)/t11-,12-,13-/m0/s1
Definition date:2008-12-12
Last modified:2024-09-27
Identifier:N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide
300
300
Name:2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE
Formula:C8 H9 O6 P
SMILES:O=Cc1cccc(OC)c1OP(=O)(O)O
InChi:InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
Synonyms:RU78300
Definition date:2003-06-20
Last modified:2024-09-27
Identifier:2-formyl-6-methoxyphenyl dihydrogen phosphate
30F
30F
Name:(2Z)-2-amino-3-selanylprop-2-enoic acid
Formula:C3 H5 N O2 Se
SMILES:O=C(O)/C(N)=C/[SeH]
InChi:InChI=1S/C3H5NO2Se/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-
Definition date:2014-05-06
Last modified:2024-09-27
Release date:2015-03-04
Identifier:(2Z)-2-amino-3-selanylprop-2-enoic acid
30S
30S
Name:2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
Formula:C15 H14 N4 O4 S
SMILES:O=S(=O)(O)c1ccccc1COc3c2c(nc(nc2N)N)ccc3
InChi:InChI=1S/C15H14N4O4S/c16-14-13-10(18-15(17)19-14)5-3-6-11(13)23-8-9-4-1-2-7-12(9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
Definition date:2014-05-14
Last modified:2024-09-27
Release date:2015-05-13
Identifier:2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
30U
30U
Name:4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
Formula:C15 H14 N4 O4 S
SMILES:O=S(=O)(O)c1ccc(cc1)COc3c2c(nc(nc2N)N)ccc3
InChi:InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)2-1-3-12(13)23-8-9-4-6-10(7-5-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
Definition date:2014-05-15
Last modified:2024-09-27
Release date:2015-05-20
Identifier:4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
30V
30V
Name:S-[(2-carbamoylphenyl)selanyl]-L-cysteine
Formula:C10 H12 N2 O3 S Se
SMILES:O=C(O)C(N)CS[Se]c1ccccc1C(=O)N
InChi:InChI=1S/C10H12N2O3SSe/c11-7(10(14)15)5-16-17-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15)/t7-/m0/s1
Definition date:2014-05-15
Last modified:2024-09-27
Release date:2014-07-08
Identifier:S-[(2-carbamoylphenyl)selanyl]-L-cysteine
30W
30W
Name:N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
Formula:C9 H7 N5 O3
SMILES:O=C(NC2=Nc1ncc(nc1C(=O)N2)C=O)C
InChi:InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17)
Synonyms:Acetyl 6-formylpterin
Definition date:2014-05-16
Last modified:2024-09-27
Release date:2014-07-02
Identifier:N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
31G
31G
Name:3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
Formula:C15 H14 N4 O4 S
SMILES:O=S(=O)(O)c1cccc(c1)COc3c2c(nc(nc2N)N)ccc3
InChi:InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)5-2-6-12(13)23-8-9-3-1-4-10(7-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
Definition date:2014-05-16
Last modified:2024-09-27
Release date:2015-05-20
Identifier:3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
31J
31J
Name:7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one
Formula:C17 H22 O6
SMILES:O=C2Oc1c(c(O)c(OC)cc1C(=C2CCOCCOC)C)C
InChi:InChI=1S/C17H22O6/c1-10-12(5-6-22-8-7-20-3)17(19)23-16-11(2)15(18)14(21-4)9-13(10)16/h9,18H,5-8H2,1-4H3
Definition date:2014-05-19
Last modified:2024-09-27
Release date:2014-09-03
Identifier:7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one
31K
31K
Name:2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol
Formula:C17 H19 N O3
SMILES:Oc3c(cc(c2ccc1c(OCCN1C)c2)cc3OC)C
InChi:InChI=1S/C17H19NO3/c1-11-8-13(10-16(20-3)17(11)19)12-4-5-14-15(9-12)21-7-6-18(14)2/h4-5,8-10,19H,6-7H2,1-3H3
Definition date:2014-05-19
Last modified:2024-09-27
Release date:2014-09-03
Identifier:2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol
31L
31L
Name:3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
Formula:C18 H21 N O3
SMILES:Oc1c(cc(cc1OC)c3ccc(N2CCOCC2)cc3)C
InChi:InChI=1S/C18H21NO3/c1-13-11-15(12-17(21-2)18(13)20)14-3-5-16(6-4-14)19-7-9-22-10-8-19/h3-6,11-12,20H,7-10H2,1-2H3
Definition date:2014-05-19
Last modified:2024-09-27
Release date:2014-09-03
Identifier:3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
31Q
31Q
Name:(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury
Formula:C10 H11 Hg N O4 S
SMILES:O=C(O)C(N)CS[Hg]c1ccc(C(=O)O)cc1
InChi:InChI=1S/C7H5O2.C3H7NO2S.Hg/c8-7(9)6-4-2-1-3-5-6
Definition date:2014-05-22
Last modified:2024-09-27
Release date:2014-07-08
Identifier:(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury
323
323
Name:2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate
Formula:C25 H22 N2 O4
SMILES:[O-]C(=O)c4cc(C=O)ccc4C=1c3c(OC=2C=1C=C/C(=[N+](/C)C)C=2)cc(cc3)N(C)C
InChi:InChI=1S/C25H22N2O4/c1-26(2)16-6-9-19-22(12-16)31-23-13-17(27(3)4)7-10-20(23)24(19)18-8-5-15(14-28)11-21(18)25(29)30/h5-14H,1-4H3
Synonyms:5-Carboxy-N,N'-tetramethyl rhodamine
Definition date:2008-06-30
Last modified:2024-09-27
Identifier:2-[6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl]-5-formylbenzoate
32L
32L
Name:ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate
Formula:C10 H21 N O3
SMILES:O=C(OCC)CC(O)C(N)CC(C)C
InChi:InChI=1S/C10H21NO3/c1-4-14-10(13)6-9(12)8(11)5-7(2)3/h7-9,12H,4-6,11H2,1-3H3/t8-,9-/m0/s1
Definition date:2014-05-27
Last modified:2024-09-27
Release date:2014-06-04
Identifier:ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate
A1L4B
A1L4B
Name:(2S)-2-azanyl-5-nitroso-5-oxidanylidene-pentanoic acid
Formula:C5 H8 N2 O4
SMILES:N[CH](CCC(=O)N=O)C(O)=O
InChi:InChI=1S/C5H8N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3H,1-2,6H2,(H,9,10)/t3-/m0/s1
Definition date:2024-09-19
Last modified:2024-09-27
Release date:2024-10-02
Identifier:(2~{S})-2-azanyl-5-nitroso-5-oxidanylidene-pentanoic acid
339
339
Name:(S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE
Formula:C29 H45 Br N10 O5 S
SMILES:O=C(c1nccs1)C(NC(=O)C(NC(=O)C(NC(=O)NC(c2ccc(Br)cc2)C)CCCNC(=O)N)C(C)C)CCCNC(N)N
InChi:InChI=1S/C29H45BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22,27,35H,4-7,12-13,31-32H2,1-3H3,(H,38,43)(H,40,42)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1
Definition date:2005-05-25
Last modified:2024-09-27
Identifier:2-[N~2~-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-N~5~-carbamoyl-L-ornithyl-L-valyl-N~5~-(diaminomethyl)-L-ornithyl]-1,3-thiazole
33L
33L
Name:N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
Formula:C18 H21 N3 O2
SMILES:O=C(NCCN)C(NC(=O)c1ccccc1)Cc2ccccc2
InChi:InChI=1S/C18H21N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,23)(H,21,22)/t16-/m0/s1
Synonyms:Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form
Definition date:2014-06-10
Last modified:2024-09-27
Release date:2015-08-05
Identifier:N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
33S
33S
Name:3-iodo-L-phenylalanine
Formula:C9 H10 I N O2
SMILES:Ic1cc(ccc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:2014-06-13
Last modified:2024-09-27
Release date:2014-11-12
Identifier:3-iodo-L-phenylalanine

243083

数据于2025-10-15公开中

PDB statisticsPDBj update infoContact PDBjnumon