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ZAI
ZAI
Name:(2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid
Formula:C17 H29 N4 O9 P S
SMILES:Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C(O)=O)c1O
InChi:InChI=1S/C17H29N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,15,19,21-22,32H,2-5,7-8,18H2,1H3,(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12+,15+/m0/s1
Definition date:2022-07-05
Last modified:2024-09-27
Release date:2023-07-05
Identifier:(2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid
QPB
QPB
Name:methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate
Formula:C11 H12 O3
SMILES:COC(=O)C(C)=Cc1ccc(O)cc1
InChi:InChI=1S/C11H12O3/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-7,12H,1-2H3/b8-7-
Definition date:2020-07-16
Last modified:2024-09-27
Release date:2021-07-28
Identifier:methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate
V32
V32
Name:4-morpholin-4-ylcarbonylbenzaldehyde
Formula:C12 H13 N O3
SMILES:O=Cc1ccc(cc1)C(=O)N2CCOCC2
InChi:InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2
Definition date:2021-04-08
Last modified:2024-09-27
Release date:2021-06-09
Identifier:4-morpholin-4-ylcarbonylbenzaldehyde
ZAL
ZAL
Name:3-cyclohexyl-D-alanine
Formula:C9 H17 N O2
SMILES:O=C(O)C(N)CC1CCCCC1
InChi:InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1
Definition date:2009-01-26
Last modified:2024-09-27
Identifier:3-cyclohexyl-D-alanine
PVH
PVH
Name:HISTIDINE-METHYL-ESTER
Formula:C7 H12 N3 O2
SMILES:O=C(OC)C(N)Cc1cnc[nH+]1
InChi:InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/p+1/t6-/m0/s1
Definition date:2001-04-02
Last modified:2024-09-27
Identifier:methyl 3-(1H-imidazol-3-ium-4-yl)-L-alaninate
T3V
T3V
Name:1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:C12 H15 F N2 O3 S
SMILES:N2(CCN(S(c1ccccc1F)(=O)=O)CC2)C(=O)C
InChi:InChI=1S/C12H15FN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-5-3-2-4-11(12)13/h2-5H,6-9H2,1H3
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
NSU
NSU
Name:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:C13 H18 N4 O6
SMILES:OC(=O)CN(C1COCC1N)C(=O)CN1C=C(C)C(=O)NC1=O
InChi:InChI=1S/C13H18N4O6/c1-7-2-16(13(22)15-12(7)21)3-10(18)17(4-11(19)20)9-6-23-5-8(9)14/h2,8-9H,3-6,14H2,1H3,(H,19,20)(H,15,21,22)/t8-,9-/m0/s1
Definition date:2022-04-07
Last modified:2024-09-27
Release date:2023-04-05
Identifier:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
V34
V34
Name:ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Formula:C27 H36 N4 O6
SMILES:CCOC(=O)[C@H]=[C@H]C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c3cc2c(OC)cccc2n3
InChi:InChI=1S/C27H36N4O6/c1-5-37-24(32)10-9-18(14-17-11-12-28-25(17)33)29-26(34)21(13-16(2)3)31-27(35)22-15-19-20(30-22)7-6-8-23(19)36-4/h6-10,15-18,21,30H,5,11-14H2,1-4H3,(H,28,33)(H,29,34)(H,31,35)/b10-9+/t17-,18+,21-/m0/s1
Definition date:2020-06-19
Last modified:2024-09-27
Release date:2020-07-08
Identifier:ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
UPD
UPD
Name:1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide
Formula:C14 H19 N3 O3
SMILES:N(c1cnc(cc1)OC)C(C2CCN(C(C)=O)CC2)=O
InChi:InChI=1S/C14H19N3O3/c1-10(18)17-7-5-11(6-8-17)14(19)16-12-3-4-13(20-2)15-9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,19)
Definition date:2020-05-26
Last modified:2024-09-27
Release date:2020-06-10
Identifier:1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide
LE1
LE1
Name:3-sulfanyl-L-valine
Formula:C5 H11 N O2 S
SMILES:O=C(O)C(N)C(S)(C)C
InChi:InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1
Synonyms:L-LE1ICILLAMINE
Definition date:2009-05-15
Last modified:2024-09-27
Identifier:3-sulfanyl-L-valine
PVI
PVI
Name:(4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid
Formula:C7 H11 N O4
SMILES:N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O
InChi:InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/t4-,5+,6+/m0/s1
Synonyms:(4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid
Definition date:2022-10-04
Last modified:2024-09-27
Release date:2023-02-15
Identifier:(4~{R},5~{R})-3-azanyl-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid
XL3
XL3
Name:propane-1-thiol
Formula:C3 H8 S
SMILES:SCCC
InChi:InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
Definition date:2007-12-20
Last modified:2024-09-27
Identifier:propane-1-thiol
YDB
YDB
Name:1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
Formula:C9 H12 B N7 O5 S2
SMILES:O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O
InChi:InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1
Definition date:2023-01-25
Last modified:2024-09-27
Release date:2023-07-05
Identifier:1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
ZT6
ZT6
Name:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine
Formula:C18 H30 Cl N O4 Si
SMILES:Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O
InChi:InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17+/m0/s1
Definition date:2023-03-30
Last modified:2024-09-27
Release date:2023-06-21
Identifier:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine
V35
V35
Name:D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
Formula:C10 H14 B Cl N O4
SMILES:Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O
InChi:InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1
Synonyms:D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:[(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-)
LE2
LE2
Name:N-(2-phenylethyl)thioformamide
Formula:C9 H11 N S
SMILES:S=CNCCc1ccccc1
InChi:InChI=1S/C9H11NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)
Synonyms:Phenylethyl isothiocyanate, bound form
Definition date:2011-07-08
Last modified:2024-09-27
Identifier:N-(2-phenylethyl)thioformamide
QPE
QPE
Name:methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate
Formula:C11 H12 O2
SMILES:COC(=O)C(C)=Cc1ccccc1
InChi:InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8-
Definition date:2020-07-16
Last modified:2024-09-27
Release date:2021-07-28
Identifier:methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate
V36
V36
Name:L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
Formula:C10 H14 B Cl N O4
SMILES:Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O
InChi:InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m0/s1
Synonyms:L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:[(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-)
ZAP
ZAP
Name:[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE
Formula:C16 H18 N3 O5 P
SMILES:O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2
InChi:InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1
Synonyms:Z-AMIDINOPHENYLMETHANE-PHOSPHONATE
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:[(R)-{[(benzyloxy)carbonyl]amino}(4-carbamimidoylphenyl)methyl]phosphonic acid
LE3
LE3
Name:N-{4-[(R)-methylsulfinyl]butyl}thioformamide
Formula:C6 H13 N O S2
SMILES:O=S(CCCCNC=S)C
InChi:InChI=1S/C6H13NOS2/c1-10(8)5-3-2-4-7-6-9/h6H,2-5H2,1H3,(H,7,9)/t10-/m1/s1
Synonyms:L-Sulforaphane, bound form
Definition date:2011-07-08
Last modified:2024-09-27
Release date:2012-09-28
Identifier:N-{4-[(R)-methylsulfinyl]butyl}thioformamide
XL5
XL5
Name:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
Formula:C22 H21 Cl2 F N4 O4
SMILES:c1(c(c(c(Cl)c(OC)c1)COc3cnc(Nc2c(cccc2NC(CC)=O)F)nc3)Cl)OC
InChi:InChI=1S/C22H21Cl2FN4O4/c1-4-18(30)28-15-7-5-6-14(25)21(15)29-22-26-9-12(10-27-22)33-11-13-19(23)16(31-2)8-17(32-3)20(13)24/h5-10H,4,11H2,1-3H3,(H,28,30)(H,26,27,29)
Definition date:2017-11-05
Last modified:2024-09-27
Release date:2019-07-10
Identifier:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
XL6
XL6
Name:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
Formula:C23 H24 Cl2 N4 O4
SMILES:c1(OC)c(Cl)c(c(c(c1)OC)Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cccc3C
InChi:InChI=1S/C23H24Cl2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h6-11H,5,12H2,1-4H3,(H,28,30)(H,26,27,29)
Definition date:2017-10-28
Last modified:2024-09-27
Release date:2019-07-10
Identifier:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
QPH
QPH
Name:N-formyl-L-phenylalanine
Formula:C10 H11 N O3
SMILES:O=C(O)C(NC=O)Cc1ccccc1
InChi:InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1
Definition date:2011-04-28
Last modified:2024-09-27
Identifier:N-formyl-L-phenylalanine
RVW
RVW
Name:(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
Formula:C6 H12 O5 S
SMILES:OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6-/m0/s1
Synonyms:thioglucose
Definition date:2020-10-25
Last modified:2024-09-27
Release date:2020-12-02
Identifier:(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
UPG
UPG
Name:URIDINE-5'-DIPHOSPHATE-GLUCOSE
Formula:C15 H24 N2 O17 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
InChi:InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
Synonyms:URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

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