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F1H
F1H
Name:N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
Formula:C16 H24 N2 O S
SMILES:O=C(NC2CCN(Cc1ccccc1)CC2)CCCS
InChi:InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19)
Synonyms:N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
Definition date:2008-03-10
Last modified:2021-03-01
Identifier:N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
F1K
F1K
Name:(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
Formula:C15 H22 F N3 O S
SMILES:Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCCS
InChi:InChI=1S/C15H22FN3OS/c16-13-4-2-12(3-5-13)10-19-8-7-17-14(11-19)15(20)18-6-1-9-21/h2-5,14,17,21H,1,6-11H2,(H,18,20)/t14-/m0/s1
Synonyms:4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
Definition date:2008-03-25
Last modified:2021-03-01
Identifier:(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
F20
F20
Name:N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE
Formula:C28 H28 N4 O6 S
SMILES:O=C4NS(=O)(=O)C(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)c2ccccc2)Cc3ccccc3)C4
InChi:InChI=1S/C28H28N4O6S/c29-26(34)22(15-19-11-13-20(14-12-19)24-17-25(33)32-39(24,37)38)30-28(36)23(16-18-7-3-1-4-8-18)31-27(35)21-9-5-2-6-10-21/h1-14,22-24H,15-17H2,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t22-,23-,24-/m0/s1
Synonyms:ISOTHIAZOLIDINONE ANALOG
Definition date:2006-05-04
Last modified:2021-03-01
Identifier:N-(phenylcarbonyl)-L-phenylalanyl-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-L-phenylalaninamide
F29
F29
Name:1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE
Formula:C21 H17 N7
SMILES:n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5CC=C)N
InChi:InChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26)
Synonyms:FR296110
Definition date:2005-03-11
Last modified:2021-03-01
Identifier:5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-en-1-yl-1H-pyrazolo[3,4-c]pyridazin-3-amine
F2N
F2N
Name:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE
Formula:C36 H43 N9 O16 P2
SMILES:O=C(N2c1cc(c(cc1N(C3=C2C(=O)NC(=O)N3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)CCc7ccccc7
InChi:InChI=1S/C36H43N9O16P2/c1-17-10-20-21(11-18(17)2)45(25(48)9-8-19-6-4-3-5-7-19)27-33(41-36(53)42-34(27)52)43(20)12-22(46)28(49)23(47)13-58-62(54,55)61-63(56,57)59-14-24-29(50)30(51)35(60-24)44-16-40-26-31(37)38-15-39-32(26)44/h3-7,10-11,15-16,22-24,28-30,35,46-47,49-51H,8-9,12-14H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,42,52,53)/t22-,23+,24+,28-,29+,30+,35+/m0/s1
Synonyms:1-HYDRO-5-(3-PHENYLPROPANOYL)-FLAVIN-ADENINE DINUCLEOTIDE
Definition date:2007-06-07
Last modified:2021-03-01
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
4S7
4S7
Name:1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium
Formula:C21 H45 N3 O3 P
SMILES:C(CP(O)(=O)OCCCCCCCCCCCCCCCCCC)CN=[N+]=N
InChi:InChI=1S/C21H44N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-28(25,26)21-18-19-23-24-22/h22H,2-21H2,1H3/p+1
Synonyms:octadecyl hydrogen (R)-(3-azidopropyl)phosphonate
Definition date:2015-05-20
Last modified:2021-03-01
Release date:2016-05-25
Identifier:1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium
4T4
4T4
Name:(S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one
Formula:C38 H47 Cl N4 O4
SMILES:CN6CCN(C5CCC(CN(c1ccc(cc1)N3C(c2ccc(Cl)cc2)c4c(CC3=O)cc(c(c4)OC(C)C)OC)C)CC5)CC6=O
InChi:InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/m0/s1
Synonyms:NVP-CGM097
Definition date:2015-05-21
Last modified:2021-03-01
Release date:2015-07-29
Identifier:(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl}amino)phenyl]-7-(propan-2-yloxy)-1,4-dihydroisoquinolin-3(2H)-one
4TD
4TD
Name:(2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol
Formula:C17 H36 O8
SMILES:O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C
InChi:InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m0/s1
Synonyms:tetraerythritol propoxylate
Definition date:2014-01-08
Last modified:2021-03-01
Release date:2014-04-09
Identifier:(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2S)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol (non-preferred name)
F4S
F4S
Name:FE4-S3 CLUSTER
Formula:Fe4 S3
SMILES:[Fe]|1|2|S3[Fe]S|1[Fe]S|2[Fe]3
InChi:InChI=1S/4Fe.3S
Synonyms:T-CLUSTER
Definition date:2011-04-14
Last modified:2021-03-01
F5M
F5M
Name:5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Formula:C24 H13 N O7
SMILES:O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5
InChi:InChI=1S/C24H13NO7/c26-13-2-5-16-19(10-13)32-20-11-14(27)3-6-17(20)23(16)15-4-1-12(9-18(15)24(30)31)25-21(28)7-8-22(25)29/h1-11,26H,(H,30,31)
Synonyms:fluorescein-5-maleimide
Definition date:2010-04-13
Last modified:2021-03-01
Identifier:5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
F5R
F5R
Name:4-bromanylbenzenecarboximidamide
Formula:C7 H7 Br N2
SMILES:NC(=N)c1ccc(Br)cc1
InChi:InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
Synonyms:4-Bromobenzamidine
Definition date:2020-04-01
Last modified:2021-03-01
Release date:2020-08-26
Identifier:4-bromanylbenzenecarboximidamide
F5U
F5U
Name:2-(5-methoxy-1H-indol-3-yl)ethanamine
Formula:C11 H14 N2 O
SMILES:COc1ccc2[nH]cc(CCN)c2c1
InChi:InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
Synonyms:5-Methoxytryptamine
Definition date:2020-04-01
Last modified:2021-03-01
Release date:2020-08-26
Identifier:2-(5-methoxy-1~{H}-indol-3-yl)ethanamine
F5X
F5X
Name:2-(6-methoxy-1H-indol-3-yl)ethanamine
Formula:C11 H14 N2 O
SMILES:COc1ccc2c(CCN)c[nH]c2c1
InChi:InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
Synonyms:6-Methoxytryptamine
Definition date:2020-04-01
Last modified:2021-03-01
Release date:2020-08-26
Identifier:2-(6-methoxy-1~{H}-indol-3-yl)ethanamine
F77
F77
Name:3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID
Formula:C16 H16 F N O4 S
SMILES:O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC)c2ccc(F)cc2
InChi:InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20)
Synonyms:3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID
Definition date:2007-02-06
Last modified:2021-03-01
Identifier:3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid
4WV
4WV
Name:bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappaS:2kappaS)diiron(2+)
Formula:C7 H4 Fe2 N2 O4 S2
SMILES:O=C1[Fe]|2(S|3COCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+]
InChi:InChI=1S/C2H4OS2.2CN.3CO.2Fe/c4-1-3-2-5
Synonyms:oxodithiolato-bridged [2Fe2S] cluster
Definition date:2015-06-15
Last modified:2021-03-01
Release date:2015-11-11
G1R
G1R
Name:[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5S)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:C15 H23 N5 O15 P2
SMILES:O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC3OC(O)C(O)C3O)N
InChi:InChI=1S/C15H23N5O15P2/c16-15-18-11-6(12(25)19-15)17-3-20(11)13-9(23)7(21)4(33-13)1-31-36(27,28)35-37(29,30)32-2-5-8(22)10(24)14(26)34-5/h3-5,7-10,13-14,21-24,26H,1-2H2,(H,27,28)(H,29,30)(H3,16,18,19,25)/t4-,5-,7+,8-,9-,10-,13-,14+/m1/s1
Synonyms:GUANOSINE DIPHOSPHORIBOSE
Definition date:2006-08-30
Last modified:2021-03-01
Identifier:[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
G23
G23
Name:(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
Formula:C23 H27 N3 O4 S
SMILES:O=C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(=O)O)(C)C)Cc3ccccc3
InChi:InChI=1S/C23H27N3O4S/c1-23(2)19(22(29)30)26-21(31-23)18(20(28)24-14-16-11-7-4-8-12-16)25-17(27)13-15-9-5-3-6-10-15/h3-12,18-19,21,26H,13-14H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)/t18-,19+,21-/m1/s1
Synonyms:GR123976
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2R,4S)-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
G2H
G2H
Name:2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE
Formula:C3 H9 O6 P
SMILES:O=P(O)(O)OC(CO)CO
InChi:InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
Synonyms:GLYCEROL-2-PHOSPHATE
Definition date:2004-08-19
Last modified:2021-03-01
Identifier:2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate
G2K
G2K
Name:2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
Formula:C25 H25 Cl N4 O5
SMILES:C2(=O)C(O)=C(C(=O)NCCc1ccccc1)N=C(N2)C3CCCN3C(COc4ccccc4Cl)=O
InChi:InChI=1S/C25H25ClN4O5/c26-17-9-4-5-11-19(17)35-15-20(31)30-14-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-13-12-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1
Synonyms:SRI-29843
Definition date:2017-07-11
Last modified:2021-03-01
Release date:2018-01-03
Identifier:2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
G2R
G2R
Name:[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:C15 H23 N5 O14 P2
SMILES:O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O
InChi:InChI=1S/C15H23N5O14P2/c16-15-18-12-8(13(25)19-15)17-4-20(12)14-11(24)10(23)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(22)5(21)1-30-6/h4-7,9-11,14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,18,19,25)/t5-,6+,7+,9-,10-,11+,14+/m0/s1
Synonyms:GUANOSINE DIPHOSPHORIBOSE INTERMEDIATE
Definition date:2006-08-30
Last modified:2021-03-01
Identifier:[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
G3K
G3K
Name:2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
Formula:C19 H20 Cl N3 O6
SMILES:C1(NC(=NC(=C1O)C(O)=O)C3CCCN3C(=O)C(C)(C)Oc2ccc(Cl)cc2)=O
InChi:InChI=1S/C19H20ClN3O6/c1-19(2,29-11-7-5-10(20)6-8-11)18(28)23-9-3-4-12(23)15-21-13(17(26)27)14(24)16(25)22-15/h5-8,12,24H,3-4,9H2,1-2H3,(H,26,27)(H,21,22,25)/t12-/m1/s1
Synonyms:SRI-29782
Definition date:2017-07-11
Last modified:2021-03-01
Release date:2018-01-03
Identifier:2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
G3Q
G3Q
Name:R-Talinolol
Formula:C20 H33 N3 O3
SMILES:CC(C)(C)NC[CH](O)COc1ccc(NC(=O)NC2CCCCC2)cc1
InChi:InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1
Synonyms:Talinolol
Definition date:2018-08-23
Last modified:2021-03-01
Release date:2019-07-03
Identifier:1-[4-[(2~{R})-3-(~{tert}-butylamino)-2-oxidanyl-propoxy]phenyl]-3-cyclohexyl-urea
511
511
Name:[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
Formula:C18 H14 Cl N O4
SMILES:Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3)CC(=O)O
InChi:InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22)
Synonyms:2'-desmethyl-indomethacin
Definition date:2012-01-19
Last modified:2021-03-01
Release date:2013-03-06
Identifier:[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
G4W
G4W
Name:6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
Formula:C20 H20 F2 N6 O
SMILES:Fc1cc(F)cc(c1)[CH]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N
InChi:InChI=1S/C20H20F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18,26H,1-6H2/t18-/m0/s1
Synonyms:GSK547
Definition date:2018-08-28
Last modified:2021-03-01
Release date:2018-12-12
Identifier:6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
51V
51V
Name:2-methylaniline
Formula:C7 H9 N
SMILES:c1cc(C)c(cc1)N
InChi:InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
Synonyms:o-Toluidine
Definition date:2015-07-13
Last modified:2021-03-01
Release date:2016-08-03
Identifier:2-methylaniline

245011

数据于2025-11-19公开中

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