Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
1X7
1X7
Name:4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide
Formula:C8 H6 Br N3 O S
SMILES:O=C(c2c1sc(Br)cc1c(nc2)N)N
InChi:InChI=1S/C8H6BrN3OS/c9-5-1-3-6(14-5)4(8(11)13)2-12-7(3)10/h1-2H,(H2,10,12)(H2,11,13)
Definition date:2013-07-22
Last modified:2013-12-20
Release date:2013-12-25
Identifier:4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide
1X8
1X8
Name:4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide
Formula:C9 H8 N4 O2 S
SMILES:O=C(c2c1sc(cc1c(nc2)N)C(=O)N)N
InChi:InChI=1S/C9H8N4O2S/c10-7-3-1-5(9(12)15)16-6(3)4(2-13-7)8(11)14/h1-2H,(H2,10,13)(H2,11,14)(H2,12,15)
Definition date:2013-07-22
Last modified:2013-12-20
Release date:2013-12-25
Identifier:4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide
96P
96P
Name:(2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)
Formula:C25 H20 F3 N O12
SMILES:FC(F)(F)c3cc(OC(=O)NCC(OC(=O)c1cc(O)c(O)c(O)c1)COC(=O)c2cc(O)c(O)c(O)c2)ccc3
InChi:InChI=1S/C25H20F3NO12/c26-25(27,28)13-2-1-3-14(8-13)41-24(38)29-9-15(40-23(37)12-6-18(32)21(35)19(33)7-12)10-39-22(36)11-4-16(30)20(34)17(31)5-11/h1-8,15,30-35H,9-10H2,(H,29,38)/t15-/m0/s1
Definition date:2012-08-02
Last modified:2013-12-20
Release date:2013-12-25
Identifier:(2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)
4TG
4TG
Name:dTDP-4,6-dideoxy-4-formamido-glucose
Formula:C17 H27 N3 O15 P2
SMILES:O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(NC=O)C(O)C3O)C)O)O)C
InChi:InChI=1S/C17H27N3O15P2/c1-7-4-20(17(26)19-15(7)25)11-3-9(22)10(33-11)5-31-36(27,28)35-37(29,30)34-16-14(24)13(23)12(18-6-21)8(2)32-16/h4,6,8-14,16,22-24H,3,5H2,1-2H3,(H,18,21)(H,27,28)(H,29,30)(H,19,25,26)/t8-,9+,10-,11-,12-,13+,14-,16-/m1/s1
Definition date:2013-12-12
Last modified:2013-12-20
Release date:2013-12-25
Identifier:(2R,3R,4S,5S,6R)-5-(formylamino)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
556
556
Name:3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Formula:C10 H10 N2 S
SMILES:n1cc(n2c1CCC2)c3sccc3
InChi:InChI=1S/C10H10N2S/c1-4-10-11-7-8(12(10)5-1)9-3-2-6-13-9/h2-3,6-7H,1,4-5H2
Definition date:2013-12-12
Last modified:2013-12-20
Release date:2013-12-25
Identifier:3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
2C6
2C6
Name:3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
Formula:C25 H25 N5 O3 S
SMILES:O=C4c5ccccc5N=C(SCCC(=O)NC3CCC(c1nnc(o1)c2ccccc2)CC3)N4
InChi:InChI=1S/C25H25N5O3S/c31-21(14-15-34-25-27-20-9-5-4-8-19(20)22(32)28-25)26-18-12-10-17(11-13-18)24-30-29-23(33-24)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,26,31)(H,27,28,32)/t17-,18-
Definition date:2013-09-19
Last modified:2013-12-20
Release date:2013-12-25
Identifier:3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
2C8
2C8
Name:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
Formula:C25 H19 N5 O3
SMILES:O=C1c5ccccc5N=C(N1)CCC(=O)Nc4ccc(c2nnc(o2)c3ccccc3)cc4
InChi:InChI=1S/C25H19N5O3/c31-22(15-14-21-27-20-9-5-4-8-19(20)23(32)28-21)26-18-12-10-17(11-13-18)25-30-29-24(33-25)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,31)(H,27,28,32)
Definition date:2013-09-19
Last modified:2013-12-20
Release date:2013-12-25
Identifier:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
2D6
2D6
Name:N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
Formula:C24 H24 N4 O3 S
SMILES:N#Cc4ccc(OC3CCC(NC(=O)CCSC2=Nc1c(cccc1)C(=O)N2)CC3)cc4
InChi:InChI=1S/C24H24N4O3S/c25-15-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)26-22(29)13-14-32-24-27-21-4-2-1-3-20(21)23(30)28-24/h1-6,9-10,17,19H,7-8,11-14H2,(H,26,29)(H,27,28,30)/t17-,19-
Definition date:2013-09-23
Last modified:2013-12-20
Release date:2013-12-25
Identifier:N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
2KA
2KA
Name:2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
Formula:C7 H6 N4 O3
SMILES:O=C(O)c1cnc2N=C(N)NC(=O)c12
InChi:InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)
Definition date:2013-11-14
Last modified:2013-12-20
Release date:2013-12-25
Identifier:2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
2LW
2LW
Name:1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Formula:C13 H13 Cl N2 O
SMILES:Clc2cc1c3c(nc1cc2)CCN(C(=O)C)C3
InChi:InChI=1S/C13H13ClN2O/c1-8(17)16-5-4-13-11(7-16)10-6-9(14)2-3-12(10)15-13/h2-3,6,15H,4-5,7H2,1H3
Definition date:2013-11-29
Last modified:2013-12-20
Release date:2013-12-25
Identifier:1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
2LX
2LX
Name:N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide
Formula:C13 H17 N O3
SMILES:O=C(c2c(OC1CCOCC1)cccc2)NC
InChi:InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)
Definition date:2013-11-29
Last modified:2013-12-20
Release date:2013-12-25
Identifier:N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide
2LY
2LY
Name:N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
Formula:C8 H9 N O3 S
SMILES:O=C(c1scc2OCCOc12)NC
InChi:InChI=1S/C8H9NO3S/c1-9-8(10)7-6-5(4-13-7)11-2-3-12-6/h4H,2-3H2,1H3,(H,9,10)
Definition date:2013-11-29
Last modified:2013-12-20
Release date:2013-12-25
Identifier:N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
2NW
2NW
Name:3-bromoquinolin-4-amine
Formula:C9 H7 Br N2
SMILES:Brc1c(c2ccccc2nc1)N
InChi:InChI=1S/C9H7BrN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12)
Definition date:2013-12-11
Last modified:2013-12-20
Release date:2013-12-25
Identifier:3-bromoquinolin-4-amine
2NX
2NX
Name:dimethyl benzoylphosphoramidate
Formula:C9 H12 N O4 P
SMILES:O=C(NP(=O)(OC)OC)c1ccccc1
InChi:InChI=1S/C9H12NO4P/c1-13-15(12,14-2)10-9(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,11,12)
Definition date:2013-12-11
Last modified:2013-12-20
Release date:2013-12-25
Identifier:dimethyl benzoylphosphoramidate
2NY
2NY
Name:N~2~,N~2~-diethylquinazoline-2,4-diamine
Formula:C12 H16 N4
SMILES:n2c1c(cccc1)c(nc2N(CC)CC)N
InChi:InChI=1S/C12H16N4/c1-3-16(4-2)12-14-10-8-6-5-7-9(10)11(13)15-12/h5-8H,3-4H2,1-2H3,(H2,13,14,15)
Definition date:2013-12-11
Last modified:2013-12-20
Release date:2013-12-25
Identifier:N~2~,N~2~-diethylquinazoline-2,4-diamine
2NZ
2NZ
Name:1-(1H-benzimidazol-1-yl)propan-2-one
Formula:C10 H10 N2 O
SMILES:O=C(C)Cn1c2ccccc2nc1
InChi:InChI=1S/C10H10N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3
Definition date:2013-12-11
Last modified:2013-12-20
Release date:2013-12-25
Identifier:1-(1H-benzimidazol-1-yl)propan-2-one
2O0
2O0
Name:3-(1H-benzimidazol-1-yl)propanamide
Formula:C10 H11 N3 O
SMILES:O=C(N)CCn1c2ccccc2nc1
InChi:InChI=1S/C10H11N3O/c11-10(14)5-6-13-7-12-8-3-1-2-4-9(8)13/h1-4,7H,5-6H2,(H2,11,14)
Definition date:2013-12-12
Last modified:2013-12-20
Release date:2013-12-25
Identifier:3-(1H-benzimidazol-1-yl)propanamide
2O1
2O1
Name:2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one
Formula:C12 H10 N2 O
SMILES:O=C3c2cnc1ccccc1c2NCC3
InChi:InChI=1S/C12H10N2O/c15-11-5-6-13-12-8-3-1-2-4-10(8)14-7-9(11)12/h1-4,7,13H,5-6H2
Definition date:2013-12-12
Last modified:2013-12-20
Release date:2013-12-25
Identifier:2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one
0EJ
0EJ
Name:(2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid
Formula:C8 H20 O25 P6
SMILES:O=P(O)(O)CC(=O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
InChi:InChI=1S/C8H20O25P6/c9-2(1-34(10,11)12)28-3-4(29-35(13,14)15)6(31-37(19,20)21)8(33-39(25,26)27)7(32-38(22,23)24)5(3)30-36(16,17)18/h3-8H,1H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t3-,4-,5+,6+,7-,8+
Definition date:2012-08-03
Last modified:2013-12-18
Identifier:(2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid
V5A
V5A
Name:adenosine-5'-vanadate
Formula:C10 H13 N5 O6 V
SMILES:O=[V](O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H12N5O4.H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10
Definition date:2013-11-07
Last modified:2013-12-13
Release date:2013-12-18
Identifier:(adenosinato-kappaO~5'~)(hydroxy)oxovanadium
ZJ0
ZJ0
Name:1-(3,5-dimethoxyphenyl)decan-1-one
Formula:C18 H28 O3
SMILES:O=C(c1cc(OC)cc(OC)c1)CCCCCCCCC
InChi:InChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-11-18(19)15-12-16(20-2)14-17(13-15)21-3/h12-14H,4-11H2,1-3H3
Definition date:2013-06-15
Last modified:2013-12-13
Release date:2013-12-18
Identifier:1-(3,5-dimethoxyphenyl)decan-1-one
T94
T94
Name:1-(3,4,5-trihydroxyphenyl)nonan-1-one
Formula:C15 H22 O4
SMILES:O=C(c1cc(O)c(O)c(O)c1)CCCCCCCC
InChi:InChI=1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-13(17)15(19)14(18)10-11/h9-10,17-19H,2-8H2,1H3
Definition date:2013-03-13
Last modified:2013-12-13
Release date:2013-12-18
Identifier:1-(3,4,5-trihydroxyphenyl)nonan-1-one
Y1Z
Y1Z
Name:2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide
Formula:C26 H23 Cl N6 O3 S
SMILES:Clc1ccccc1S(=O)(=O)Nc5cc(c4nn2c(nnc2C)c3ccccc34)ccc5N6CCOCC6
InChi:InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
Definition date:2013-11-26
Last modified:2013-12-13
Release date:2013-12-18
Identifier:2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide
YRZ
YRZ
Name:N-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine
Formula:C13 H18 N6
SMILES:n2c(c1c(NCC1)n3nccc23)NC4CCCNC4
InChi:InChI=1S/C13H18N6/c1-2-9(8-14-5-1)17-12-10-3-6-15-13(10)19-11(18-12)4-7-16-19/h4,7,9,14-15H,1-3,5-6,8H2,(H,17,18)/t9-/m0/s1
Definition date:2013-09-18
Last modified:2013-12-13
Release date:2013-12-18
Identifier:N-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine
12O
12O
Name:(1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid
Formula:C26 H26 N2 O5
SMILES:O=C(O)C5CCCCC5C(=O)N2C(c1c(cccc1)CC2)CN4C(=O)c3ccccc3C4=O
InChi:InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21-,22-/m1/s1
Definition date:2013-01-03
Last modified:2013-12-13
Release date:2013-12-18
Identifier:(1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon