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
PR6
PR6
Name:3-chloro-3-oxopropanoic acid
Formula:C3 H3 Cl O3
SMILES:ClC(=O)CC(=O)O
InChi:InChI=1S/C3H3ClO3/c4-2(5)1-3(6)7/h1H2,(H,6,7)
Definition date:2010-05-13
Last modified:2024-09-27
Identifier:3-chloro-3-oxopropanoic acid
ZO1
ZO1
Name:3-(trifluoromethyl)benzaldehyde
Formula:C8 H5 F3 O2
SMILES:FC(F)(F)c1cccc(C=O)c1
InChi:InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
Definition date:2021-05-12
Last modified:2024-09-27
Release date:2022-03-02
Identifier:3-(trifluoromethyl)benzaldehyde
Y8S
Y8S
Name:(1R,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C24 H39 N3 O8 S
SMILES:CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23+/m0/s1
Definition date:2021-02-10
Last modified:2024-09-27
Release date:2021-02-17
Identifier:(2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
QZ7
QZ7
Name:N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:C20 H33 F2 N3 O5
SMILES:C1(F)(CCC(CC1)OC(=O)NC(CC(C)C)C(NC(CC2C(=O)NCC2)CO)=O)F
InChi:InChI=1S/C20H33F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h12-16,26H,3-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13-,14-,16-/m0/s1
Definition date:2020-01-15
Last modified:2024-09-27
Release date:2020-08-12
Identifier:N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
PR7
PR7
Name:1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline
Formula:C8 H13 N O5
SMILES:O=C(O)C(O)CN1C(C(=O)O)CCC1
InChi:InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1
Definition date:2010-06-07
Last modified:2024-09-27
Identifier:1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline
O44
O44
Name:4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
Formula:C25 H27 F N8 O3 S
SMILES:O=S(=O)(c1ccc(cc1)CN2CCN(CC2)c3nc(C(NCC#C)=O)cc(n3)Nc4cc(nn4)C5CC5)F
InChi:InChI=1S/C25H27FN8O3S/c1-2-9-27-24(35)21-15-22(29-23-14-20(31-32-23)18-5-6-18)30-25(28-21)34-12-10-33(11-13-34)16-17-3-7-19(8-4-17)38(26,36)37/h1,3-4,7-8,14-15,18H,5-6,9-13,16H2,(H,27,35)(H2,28,29,30,31,32)
Definition date:2016-06-01
Last modified:2024-09-27
Release date:2017-01-25
Identifier:4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
QL0
QL0
Name:3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:C11 H13 N O2 S
SMILES:CN(CCS)C(=O)c1cccc(C=O)c1
InChi:InChI=1S/C11H13NO2S/c1-12(5-6-15)11(14)10-4-2-3-9(7-10)8-13/h2-4,7-8,15H,5-6H2,1H3
Definition date:2022-11-08
Last modified:2024-09-27
Release date:2023-03-29
Identifier:3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
UKY
UKY
Name:3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
Formula:C5 H9 N4 O5 P
SMILES:C(O)(C(N)Cn1c(P(=O)(O)O)cnn1)=O
InChi:InChI=1S/C5H9N4O5P/c6-3(5(10)11)2-9-4(1-7-8-9)15(12,13)14/h1,3H,2,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1
Definition date:2020-05-20
Last modified:2024-09-27
Release date:2021-02-03
Identifier:3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
RCY
RCY
Name:(3'R)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione
Formula:C12 H19 N2 O3
SMILES:ON2C(CC(N1C(=O)CCC1=O)C2(C)C)(C)C
InChi:InChI=1S/C12H20N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h8,17H,5-7H2,1-4H3/t8-/m1/s1
Synonyms:3-Maleimido-PROXYL (bound form)
Definition date:2007-10-05
Last modified:2024-09-27
Identifier:(3'R)-1'-hydroxy-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione
PR9
PR9
Name:D-PROLINAMIDE
Formula:C5 H10 N2 O
SMILES:O=C(N)C1NCCC1
InChi:InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m1/s1
Definition date:2009-09-02
Last modified:2024-09-27
Identifier:D-prolinamide
Y8V
Y8V
Name:(1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C24 H39 N3 O8 S
SMILES:CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23-/m0/s1
Definition date:2021-02-10
Last modified:2024-09-27
Release date:2021-02-17
Identifier:(1~{S},2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
QZA
QZA
Name:(2R,3S)-3-amino-1-chlorobutan-2-ol
Formula:C4 H10 Cl N O
SMILES:NC(C)C(CCl)O
InChi:InChI=1S/C4H10ClNO/c1-3(6)4(7)2-5/h3-4,7H,2,6H2,1H3/t3-,4-/m0/s1
Synonyms:(3S)-3-amino-1-chlorobutan-2-one, bound form
Definition date:2020-01-16
Last modified:2024-09-27
Release date:2020-09-16
Identifier:(2R,3S)-3-amino-1-chlorobutan-2-ol
L9U
L9U
Name:2-bromo-N-[(thiophen-2-yl)methyl]acetamide
Formula:C7 H8 Br N O S
SMILES:O=C(NCc1cccs1)CBr
InChi:InChI=1S/C7H8BrNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
Definition date:2022-03-01
Last modified:2024-09-27
Release date:2022-12-07
Identifier:2-bromo-N-[(thiophen-2-yl)methyl]acetamide
NOP
NOP
Name:PYRIDOXAL-5'-PHOSPHATE-N-OXIDE
Formula:C8 H10 N O7 P
SMILES:[O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O
InChi:InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15)
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(4-formyl-5-hydroxy-6-methyl-1-oxidopyridin-3-yl)methyl dihydrogen phosphate
QL2
QL2
Name:6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile
Formula:C14 H10 F2 N6
SMILES:Fc1cc(cc(F)c1)Nc3nc(nc2c3ncn2CC)C#N
InChi:InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
Definition date:2009-06-26
Last modified:2024-09-27
Identifier:6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile
X3H
X3H
Name:PIRONETIN
Formula:C19 H34 O4
SMILES:CC[CH]1CCC(=O)O[CH]1C[CH](O)[CH](C)[CH](OC)[CH](C)CC=CC
InChi:InChI=1S/C19H34O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,13-17,19-20H,7,9-12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1
Definition date:2015-11-17
Last modified:2024-09-27
Release date:2016-05-18
Identifier:(5R,6R)-5-ethyl-6-[(E,2R,3S,4R,5S)-4-methoxy-3,5-dimethyl-2-oxidanyl-non-7-enyl]oxan-2-one
PRA
PRA
Name:3-PHENYLPROPYLAMINE
Formula:C9 H13 N
SMILES:C(CCc1ccccc1)N
InChi:InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:3-phenylpropan-1-amine
Y8Y
Y8Y
Name:(1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C24 H41 N3 O8 S
SMILES:CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23+/m0/s1
Definition date:2021-02-10
Last modified:2024-09-27
Release date:2021-02-17
Identifier:(2~{S})-2-[[(2~{S})-2-[[(1~{R},5~{S})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
S6B
S6B
Name:3-chloranyl-4-imidazol-1-yl-benzaldehyde
Formula:C10 H9 Cl N2 O
SMILES:OCc1ccc(n2ccnc2)c(Cl)c1
InChi:InChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2
Definition date:2020-11-10
Last modified:2024-09-27
Release date:2021-06-16
Identifier:(3-chloranyl-4-imidazol-1-yl-phenyl)methanol
NOQ
NOQ
Name:(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
Formula:C17 H26 N2 O4 S
SMILES:O=S(=O)(c1ccc(OC)cc1)CC2C(C(=O)NCCN)CCCC2
InChi:InChI=1S/C17H26N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1
Definition date:2005-12-22
Last modified:2024-09-27
Identifier:(1R,2R)-N-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide
QZD
QZD
Name:N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:C20 H35 N3 O7
SMILES:C(C(NC(C(CC(C)C)NC(OC1(COCOC1)CC)=O)=O)CO)C2C(=O)NCC2
InChi:InChI=1S/C20H35N3O7/c1-4-20(10-28-12-29-11-20)30-19(27)23-16(7-13(2)3)18(26)22-15(9-24)8-14-5-6-21-17(14)25/h13-16,24H,4-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1
Definition date:2020-01-17
Last modified:2024-09-27
Release date:2020-08-12
Identifier:N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
X3I
X3I
Name:(5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)
Formula:C28 H43 F O2
SMILES:FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCC#C
InChi:InChI=1S/C28H43FO2/c1-5-16-31-22-12-14-27(3)20(17-22)7-9-23-25-11-10-24(19(2)6-8-21(30)18-29)28(25,4)15-13-26(23)27/h1,19-20,22-26H,6-18H2,2-4H3/t19-,20-,22-,23+,24-,25+,26+,27+,28-/m1/s1
Definition date:2022-10-26
Last modified:2024-09-27
Release date:2023-11-15
Identifier:(5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)
NOR
NOR
Name:CYCLOHEXYL-NORSTATINE
Formula:C13 H25 N O3
SMILES:O=C(OC(C)C)C(O)C(N)CC1CCCCC1
InChi:InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:propan-2-yl (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoate
XVG
XVG
Name:1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid
Formula:C27 H27 Cl N8 O12 S
SMILES:CC(C(O)=O)(C)ON=C(c1nc(N)sc1Cl)C(NC(C=O)CN2NC(=C(C2)C(NCCN4C(=O)c3cc(O)c(cc3C4=O)O)=O)C(O)=O)=O
InChi:InChI=1S/C27H27ClN8O12S/c1-27(2,25(46)47)48-34-18(17-19(28)49-26(29)32-17)21(41)31-10(9-37)7-35-8-13(16(33-35)24(44)45)20(40)30-3-4-36-22(42)11-5-14(38)15(39)6-12(11)23(36)43/h5-6,9-10,33,38-39H,3-4,7-8H2,1-2H3,(H2,29,32)(H,30,40)(H,31,41)(H,44,45)(H,46,47)/b34-18-/t10-/m0/s1
Definition date:2021-01-15
Last modified:2024-09-27
Release date:2021-04-28
Identifier:1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid
4FB
4FB
Name:(4S)-4-FLUORO-L-PROLINE
Formula:C5 H8 F N O2
SMILES:O=C(O)C1NCC(F)C1
InChi:InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
Definition date:2007-06-06
Last modified:2024-09-27
Identifier:(4S)-4-fluoro-L-proline

243083

PDB entries from 2025-10-15

PDB statisticsPDBj update infoContact PDBjnumon