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
S2D
S2D
Name:N-BENZOYL-D-ALANINE
Formula:C10 H11 N O3
SMILES:O=C(NC(C(=O)O)C)c1ccccc1
InChi:InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
Definition date:2006-12-23
Last modified:2024-09-27
Identifier:N-benzoyl-D-alanine
KCY
KCY
Name:D-homocysteine
Formula:C4 H9 N O2 S
SMILES:C(C(N)CCS)(=O)O
InChi:InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
Definition date:2015-03-10
Last modified:2024-09-27
Release date:2015-04-15
Identifier:D-homocysteine
R99
R99
Name:N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
Formula:C19 H28 N2 O5
SMILES:O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CCc1ccccc1
InChi:InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16+/m1/s1
Synonyms:WRR-99
Definition date:2000-05-03
Last modified:2024-09-27
Identifier:(3S)-3-hydroxy-4-({(2R)-1-[(3-methylbutyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-4-oxobutanoic acid
L61
L61
Name:2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:C14 H19 N O3
SMILES:O=C(OCC(C)C)NC(c1ccccc1)CC=O
InChi:InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)15-13(8-9-16)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1
Definition date:2013-02-11
Last modified:2024-09-27
Release date:2013-05-22
Identifier:2-methylpropyl [(1R)-3-oxo-1-phenylpropyl]carbamate
SVV
SVV
Name:O-[(S)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE
Formula:C3 H9 N2 O5 P
SMILES:O=P(O)(OCC(C(=O)O)N)N
InChi:InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1
Definition date:2007-02-13
Last modified:2024-09-27
Identifier:O-[(S)-amino(hydroxy)phosphoryl]-L-serine
YVV
YVV
Name:N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Formula:C35 H44 N4 O7
SMILES:C#CCOCCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC
InChi:InChI=1S/C35H44N4O7/c1-3-20-45-21-18-31(40)38-29(22-25-11-7-5-8-12-25)35(44)39-30(23-26-13-9-6-10-14-26)34(43)37-28(15-16-32(41)46-4-2)24-27-17-19-36-33(27)42/h1,5-14,27-30H,4,15-24H2,2H3,(H,36,42)(H,37,43)(H,38,40)(H,39,44)/t27-,28+,29+,30-/m0/s1
Definition date:2021-04-01
Last modified:2024-09-27
Release date:2022-10-12
Identifier:N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
U3X
U3X
Name:4-[(cyclohexylmethyl)amino]-L-phenylalanine
Formula:C16 H24 N2 O2
SMILES:O=C(O)C(N)Cc2ccc(NCC1CCCCC1)cc2
InChi:InChI=1S/C16H24N2O2/c17-15(16(19)20)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h6-9,13,15,18H,1-5,10-11,17H2,(H,19,20)/t15-/m0/s1
Definition date:2013-05-06
Last modified:2024-09-27
Release date:2013-06-19
Identifier:4-[(cyclohexylmethyl)amino]-L-phenylalanine
SVW
SVW
Name:O-[(R)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE
Formula:C3 H9 N2 O5 P
SMILES:O=P(O)(OCC(C(=O)O)N)N
InChi:InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1
Definition date:2007-02-13
Last modified:2024-09-27
Identifier:O-[(R)-amino(hydroxy)phosphoryl]-L-serine
L62
L62
Name:cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:C15 H19 N O3
SMILES:O=C(OC1CCCC1)NC(c2ccccc2)CC=O
InChi:InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1
Definition date:2013-02-11
Last modified:2024-09-27
Release date:2013-05-22
Identifier:cyclopentyl [(1R)-3-oxo-1-phenylpropyl]carbamate
UV2
UV2
Name:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid
Formula:C22 H33 N3 O8 S2
SMILES:CC(C)CC(NC(=O)OCCSc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C22H33N3O8S2/c1-14(2)12-17(25-22(29)33-10-11-34-16-6-4-3-5-7-16)20(27)24-18(21(28)35(30,31)32)13-15-8-9-23-19(15)26/h3-7,14-15,17-18,21,28H,8-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t15-,17-,18-,21+/m0/s1
Definition date:2022-08-26
Last modified:2024-09-27
Release date:2022-09-07
Identifier:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid
Y56
Y56
Name:4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide
Formula:C34 H36 N8 O2
SMILES:CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N1CCC(C1)Nc1nccc(n1)c1c2ccccn2nc1c1ccccc1
InChi:InChI=1S/C34H36N8O2/c1-40(2)20-8-12-30(43)36-26-15-13-25(14-16-26)33(44)41-22-18-27(23-41)37-34-35-19-17-28(38-34)31-29-11-6-7-21-42(29)39-32(31)24-9-4-3-5-10-24/h3-7,9-11,13-17,19,21,27H,8,12,18,20,22-23H2,1-2H3,(H,36,43)(H,35,37,38)/t27-/m0/s1
Definition date:2021-10-12
Last modified:2024-09-27
Release date:2023-06-28
Identifier:4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide
S2H
S2H
Name:Hydrogen disulfide
Formula:H2 S2
SMILES:SS
InChi:InChI=1S/H2S2/c1-2/h1-2H
Definition date:2011-08-05
Last modified:2024-09-27
YVY
YVY
Name:N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide
Formula:C31 H39 N5 O6
SMILES:CC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCOCC#C)Cc1ccccc1
InChi:InChI=1S/C31H39N5O6/c1-3-18-42-19-16-28(38)34-26(20-23-11-6-4-7-12-23)29(39)36-27(21-24-13-8-5-9-14-24)30(40)35-25(22(2)37)15-10-17-33-31(32)41/h1,4-9,11-14,25-27H,10,15-21H2,2H3,(H,34,38)(H,35,40)(H,36,39)(H3,32,33,41)/t25-,26+,27-/m0/s1
Definition date:2021-04-01
Last modified:2024-09-27
Release date:2022-10-12
Identifier:N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide
SVX
SVX
Name:O-[(R)-ETHOXY(METHYL)PHOSPHORYL]-L-SERINE
Formula:C6 H14 N O5 P
SMILES:O=P(OCC)(OCC(N)C(=O)O)C
InChi:InChI=1S/C6H14NO5P/c1-3-11-13(2,10)12-4-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)/t5-,13+/m0/s1
Definition date:2007-02-13
Last modified:2024-09-27
Identifier:O-[(R)-ethoxy(methyl)phosphoryl]-L-serine
Y57
Y57
Name:N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine
Formula:C17 H28 N2 O2
SMILES:C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1
InChi:InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1
Definition date:2021-02-04
Last modified:2024-09-27
Release date:2021-12-15
Identifier:N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine
SVY
SVY
Name:O-[BIS(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE
Formula:C9 H20 N O6 P
SMILES:O=C(O)C(N)COP(=O)(OC(C)C)OC(C)C
InChi:InChI=1S/C9H20NO6P/c1-6(2)15-17(13,16-7(3)4)14-5-8(10)9(11)12/h6-8H,5,10H2,1-4H3,(H,11,12)/t8-/m0/s1
Definition date:2007-02-13
Last modified:2024-09-27
Identifier:O-[bis(propan-2-yloxy)phosphoryl]-L-serine
YVZ
YVZ
Name:(1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:C24 H37 F3 N4 O4
SMILES:CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:InChI=1S/C24H37F3N4O4/c1-7-13(10-12-8-9-28-18(12)32)29-19(33)16-15-14(23(15,5)6)11-31(16)20(34)17(22(2,3)4)30-21(35)24(25,26)27/h12-17H,7-11H2,1-6H3,(H,28,32)(H,29,33)(H,30,35)/t12-,13+,14-,15-,16-,17+/m0/s1
Definition date:2023-02-24
Last modified:2024-09-27
Release date:2024-07-24
Identifier:(1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
SVZ
SVZ
Name:O-[(S)-HYDROXY(ISOPROPYLAMINO)PHOSPHORYL]-L-SERINE
Formula:C6 H15 N2 O5 P
SMILES:O=P(O)(OCC(N)C(=O)O)NC(C)C
InChi:InChI=1S/C6H15N2O5P/c1-4(2)8-14(11,12)13-3-5(7)6(9)10/h4-5H,3,7H2,1-2H3,(H,9,10)(H2,8,11,12)/t5-/m0/s1
Definition date:2007-02-13
Last modified:2024-09-27
Identifier:O-{(R)-hydroxy[(1-methylethyl)amino]phosphoryl}-L-serine
PNS
PNS
Name:4'-PHOSPHOPANTETHEINE
Formula:C11 H23 N2 O7 P S
SMILES:O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
XDD
XDD
Name:N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
Formula:C14 H19 N7 O3
SMILES:C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N
InChi:InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1
Definition date:2020-12-11
Last modified:2024-09-27
Release date:2020-12-23
Identifier:N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
YW0
YW0
Name:methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Formula:C20 H27 N3 O4
SMILES:C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O
InChi:InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26)
Definition date:2023-06-22
Last modified:2024-09-27
Release date:2024-03-06
Identifier:methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
RNX
RNX
Name:1-(4-{[2-(4-{(4P)-4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethoxy]methyl}piperidin-1-yl)prop-2-en-1-one
Formula:C28 H38 F2 N10 O4
SMILES:C=CC(=O)N1CCC(CC1)COCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1C
InChi:InChI=1S/C28H38F2N10O4/c1-3-21(41)37-6-4-19(5-7-37)16-44-17-22(42)38-8-10-39(11-9-38)27-34-25(20-14-32-26(31)33-23(20)24(29)30)35-28(36-27)40-12-13-43-15-18(40)2/h3,14,18-19,24H,1,4-13,15-17H2,2H3,(H2,31,32,33)/t18-/m0/s1
Definition date:2023-08-22
Last modified:2024-09-27
Release date:2024-08-28
Identifier:1-(4-{[2-(4-{(4P)-4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethoxy]methyl}piperidin-1-yl)prop-2-en-1-one
S2K
S2K
Name:(2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
Formula:C12 H21 N3 O7
SMILES:N[CH](CCC[CH](NC(=O)CC[CH](N)C(O)=O)C(O)=O)C(O)=O
InChi:InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8-/m0/s1
Definition date:2020-11-06
Last modified:2024-09-27
Release date:2021-10-06
Identifier:(2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
KD7
KD7
Name:N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide
Formula:C33 H42 N8 O4 S2
SMILES:C(=O)(CCc1ccccc1)NC(C(=O)NC(C(=O)NC(CCCNC(N)=N)C(c2sc3c(n2)cccc3)O)C(C)C)Cc4cscn4
InChi:InChI=1S/C33H42N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28-29,43H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-,29-/m0/s1
Definition date:2018-11-20
Last modified:2024-09-27
Release date:2019-10-02
Identifier:N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide
L68
L68
Name:2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
Formula:C23 H16 F2 N4 O3
SMILES:Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2
InChi:InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+
Definition date:2019-07-23
Last modified:2024-09-27
Release date:2019-11-27
Identifier:2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid

243083

数据于2025-10-15公开中

PDB statisticsPDBj update infoContact PDBjnumon