Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
ODO
ODO
Name:4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol
Formula:C8 H9 N O3
SMILES:N(/O)=C(c1ccc(O)cc1O)C
InChi:InChI=1S/C8H9NO3/c1-5(9-12)7-3-2-6(10)4-8(7)11/h2-4,10-12H,1H3/b9-5+
Definition date:2012-10-05
Last modified:2014-09-05
Release date:2013-06-26
Identifier:4-[(1E)-N-hydroxyethanimidoyl]benzene-1,3-diol
A4V
A4V
Name:3-benzyladenine
Formula:C12 H12 N5
SMILES:n2c[n+](c1c(ncn1)c2N)Cc3ccccc3
InChi:InChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15)/p+1
Definition date:2013-06-04
Last modified:2014-09-05
Release date:2013-06-19
Identifier:6-amino-3-benzyl-9H-purin-3-ium
A64
A64
Name:4'-ISOPROPYLFLAVONE
Formula:C18 H16 O2
SMILES:O=C1c3c(OC(=C1)c2ccc(cc2)C(C)C)cccc3
InChi:InChI=1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3
Definition date:2013-06-07
Last modified:2014-09-05
Release date:2013-10-30
Identifier:2-[4-(propan-2-yl)phenyl]-4H-chromen-4-one
A6J
A6J
Name:(3-Deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide
Formula:C28 H28 F8 N2 O15 S2
SMILES:Fc1c(F)c(OC)c(F)c(F)c1C(=O)NC2C(O)C(OC(CO)C2O)SC4OC(C(O)C(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)C4OS(=O)(=O)O)CO
InChi:InChI=1S/C28H28F8N2O15S2/c1-49-22-13(33)9(29)7(10(30)14(22)34)25(44)37-17-19(41)5(3-39)51-27(21(17)43)54-28-24(53-55(46,47)48)18(20(42)6(4-40)52-28)38-26(45)8-11(31)15(35)23(50-2)16(36)12(8)32/h5-6,17-21,24,27-28,39-43H,3-4H2,1-2H3,(H,37,44)(H,38,45)(H,46,47,48)/t5-,6-,17+,18+,19+,20+,21-,24-,27+,28+/m1/s1
Definition date:2013-05-07
Last modified:2014-09-05
Release date:2014-05-21
Identifier:3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]-beta-D-galactopyranosyl 3-deoxy-2-O-sulfo-3-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]-1-thio-beta-D-galactopyranoside
A8P
A8P
Name:8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol
Formula:C23 H42 N7 O12 P2
SMILES:O=P(OCC1[NH2+]CC(O)C1O)(O)OP(=O)(O)OCC4OC(n3c(nc2c(ncnc23)N)NCCCCCCCC)C(O)C4O
InChi:InChI=1S/C23H41N7O12P2/c1-2-3-4-5-6-7-8-25-23-29-16-20(24)27-12-28-21(16)30(23)22-19(34)18(33)15(41-22)11-40-44(37,38)42-43(35,36)39-10-13-17(32)14(31)9-26-13/h12-15,17-19,22,26,31-34H,2-11H2,1H3,(H,25,29)(H,35,36)(H,37,38)(H2,24,27,28)/p+1/t13-,14+,15-,17-,18-,19-,22-/m1/s1
Definition date:2012-07-10
Last modified:2014-09-05
Release date:2012-12-14
Identifier:5'-O-[(S)-{[(R)-{[(2R,3R,4S)-3,4-dihydroxypyrrolidinium-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-8-(octylamino)adenosine
A9T
A9T
Name:2-(4-{[1-(4-CHLOROBENZYL)PIPERIDIN-4-YL]METHOXY}PHENYL)-1H-BENZIMIDAZOLE-5-CARBOXAMIDE
Formula:C27 H27 Cl N4 O2
SMILES:O=C(N)c1cc2nc(nc2cc1)c5ccc(OCC4CCN(Cc3ccc(Cl)cc3)CC4)cc5
InChi:InChI=1S/C27H27ClN4O2/c28-22-6-1-18(2-7-22)16-32-13-11-19(12-14-32)17-34-23-8-3-20(4-9-23)27-30-24-10-5-21(26(29)33)15-25(24)31-27/h1-10,15,19H,11-14,16-17H2,(H2,29,33)(H,30,31)
Definition date:2011-11-28
Last modified:2014-09-05
Release date:2012-10-05
Identifier:2-(4-{[1-(4-chlorobenzyl)piperidin-4-yl]methoxy}phenyl)-1H-benzimidazole-5-carboxamide
A9U
A9U
Name:2-{4-[(1-BENZYLPIPERIDIN-4-YL)METHOXY]PHENYL}-1H-BENZIMIDAZOLE-6-CARBOXAMIDE
Formula:C27 H28 N4 O2
SMILES:O=C(N)c1ccc2nc(nc2c1)c5ccc(OCC4CCN(Cc3ccccc3)CC4)cc5
InChi:InChI=1S/C27H28N4O2/c28-26(32)22-8-11-24-25(16-22)30-27(29-24)21-6-9-23(10-7-21)33-18-20-12-14-31(15-13-20)17-19-4-2-1-3-5-19/h1-11,16,20H,12-15,17-18H2,(H2,28,32)(H,29,30)
Definition date:2011-11-28
Last modified:2014-09-05
Release date:2012-10-05
Identifier:2-{4-[(1-benzylpiperidin-4-yl)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
ONZ
ONZ
Name:2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid
Formula:C10 H9 N O5
SMILES:O=C(O)CNC(=O)c1cccc2OCOc12
InChi:InChI=1S/C10H9NO5/c12-8(13)4-11-10(14)6-2-1-3-7-9(6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)
Definition date:2013-12-04
Last modified:2014-09-05
Release date:2013-12-11
Identifier:N-(1,3-benzodioxol-4-ylcarbonyl)glycine
B3V
B3V
Name:N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide
Formula:C13 H22 N2 O3 S
SMILES:O=S(=O)(NCCN(CC)CC)c1cc(OC)ccc1
InChi:InChI=1S/C13H22N2O3S/c1-4-15(5-2)10-9-14-19(16,17)13-8-6-7-12(11-13)18-3/h6-8,11,14H,4-5,9-10H2,1-3H3
Definition date:2012-08-24
Last modified:2014-09-05
Release date:2013-09-04
Identifier:N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide
B4F
B4F
Name:biotin-4-fluorescein
Formula:C33 H32 N4 O8 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)NCCNC(=O)c6ccc(C=4c5ccc(O)cc5OC3=CC(=O)C=CC3=4)c(C(=O)O)c6
InChi:InChI=1S/C33H32N4O8S/c38-18-6-9-21-25(14-18)45-26-15-19(39)7-10-22(26)29(21)20-8-5-17(13-23(20)32(42)43)31(41)35-12-11-34-28(40)4-2-1-3-27-30-24(16-46-27)36-33(44)37-30/h5-10,13-15,24,27,30,38H,1-4,11-12,16H2,(H,34,40)(H,35,41)(H,42,43)(H2,36,37,44)/t24-,27-,30-/m0/s1
Definition date:2013-07-09
Last modified:2014-09-05
Release date:2013-09-25
Identifier:2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-{[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]carbamoyl}benzoic acid
B5F
B5F
Name:BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE
Formula:C12 H15 O20 P5
SMILES:O=P(O)(O)Oc2cc(c1c(OP(=O)(O)O)cc(OP(=O)(O)O)cc1OP(=O)(O)O)cc(OP(=O)(O)O)c2
InChi:InChI=1S/C12H15O20P5/c13-33(14,15)28-7-1-6(2-8(3-7)29-34(16,17)18)12-10(31-36(22,23)24)4-9(30-35(19,20)21)5-11(12)32-37(25,26)27/h1-5H,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)
Definition date:2011-11-27
Last modified:2014-09-05
Identifier:biphenyl-2,3',4,5',6-pentayl pentakis[dihydrogen (phosphate)]
OR8
OR8
Name:2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE
Formula:C17 H19 Cl N4 O3 S
SMILES:Clc1n(nc(c1S(=O)(=O)NCc3ccc(c2c(onc2C)C)cc3)C)C
InChi:InChI=1S/C17H19ClN4O3S/c1-10-15(12(3)25-21-10)14-7-5-13(6-8-14)9-19-26(23,24)16-11(2)20-22(4)17(16)18/h5-8,19H,9H2,1-4H3
Definition date:2011-06-15
Last modified:2014-09-05
Identifier:5-chloro-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)benzyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
ORB
ORB
Name:N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE
Formula:C18 H17 Cl F N3 O3 S
SMILES:O=S(=O)(c1c(onc1C)C)NC(c3ccc(c2cc(F)cnc2Cl)cc3)C
InChi:InChI=1S/C18H17ClFN3O3S/c1-10(23-27(24,25)17-11(2)22-26-12(17)3)13-4-6-14(7-5-13)16-8-15(20)9-21-18(16)19/h4-10,23H,1-3H3/t10-/m1/s1
Definition date:2011-06-15
Last modified:2014-09-05
Identifier:N-{(1R)-1-[4-(2-chloro-5-fluoropyridin-3-yl)phenyl]ethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide
ORC
ORC
Name:(R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE
Formula:C18 H21 N3 O4 S
SMILES:O=S(=O)(c1c(onc1C)C)NC(c3ccc(c2c(onc2C)C)cc3)C
InChi:InChI=1S/C18H21N3O4S/c1-10(21-26(22,23)18-12(3)20-25-14(18)5)15-6-8-16(9-7-15)17-11(2)19-24-13(17)4/h6-10,21H,1-5H3/t10-/m1/s1
Definition date:2011-06-15
Last modified:2014-09-05
Identifier:N-{(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide
P18
P18
Name:3-hydroxy-1-phenylpropan-1-one
Formula:C9 H10 O2
SMILES:O=C(c1ccccc1)CCO
InChi:InChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2
Definition date:2012-08-02
Last modified:2014-09-05
Release date:2013-01-11
Identifier:3-hydroxy-1-phenylpropan-1-one
P1F
P1F
Name:2-(2-azanylphenoxy)-5-hexyl-phenol
Formula:C18 H23 N O2
SMILES:O(c1c(N)cccc1)c2ccc(cc2O)CCCCCC
InChi:InChI=1S/C18H23NO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8,19H2,1H3
Definition date:2013-05-15
Last modified:2014-09-05
Release date:2013-06-05
Identifier:2-(2-aminophenoxy)-5-hexylphenol
P2F
P2F
Name:5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide
Formula:C38 H52 N4 O6 S
SMILES:O=S4(=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNC(c2cccc(OC)c2)(C)C)cc(C(=O)N(CCC)CCC)c3)CCCC4
InChi:InChI=1S/C38H52N4O6S/c1-6-18-41(19-7-2)37(45)30-23-29(24-32(25-30)42-20-11-12-21-49(42,46)47)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)48-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
Definition date:2014-01-08
Last modified:2014-09-05
Release date:2014-06-18
Identifier:5-(1,1-dioxido-1,2-thiazinan-2-yl)-N'-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)propan-2-yl]amino}-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide
P3J
P3J
Name:3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE
Formula:C8 H8 N4
SMILES:n1cccc(c1)c2nnc(c2)N
InChi:InChI=1S/C8H8N4/c9-8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H3,9,11,12)
Definition date:2012-10-05
Last modified:2014-09-05
Release date:2013-06-26
Identifier:3-(pyridin-3-yl)-1H-pyrazol-5-amine
P43
P43
Name:1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine
Formula:C25 H23 F N2 O2
SMILES:O=C(c2oc(C#Cc1ccccc1F)cc2)N4CCC(c3cccc(c3)CN)CC4
InChi:InChI=1S/C25H23FN2O2/c26-23-7-2-1-5-20(23)8-9-22-10-11-24(30-22)25(29)28-14-12-19(13-15-28)21-6-3-4-18(16-21)17-27/h1-7,10-11,16,19H,12-15,17,27H2
Definition date:2011-11-04
Last modified:2014-09-05
Identifier:{4-[3-(aminomethyl)phenyl]piperidin-1-yl}{5-[(2-fluorophenyl)ethynyl]furan-2-yl}methanone
P51
P51
Name:2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol
Formula:C25 H31 I N2 O2
SMILES:Ic2c(O)c(cc(C#CCOc1ccccc1)c2)CN3CCC(N(CC)CC)CC3
InChi:InChI=1S/C25H31IN2O2/c1-3-28(4-2)22-12-14-27(15-13-22)19-21-17-20(18-24(26)25(21)29)9-8-16-30-23-10-6-5-7-11-23/h5-7,10-11,17-18,22,29H,3-4,12-16,19H2,1-2H3
Definition date:2012-01-30
Last modified:2014-09-05
Identifier:2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol
P74
P74
Name:TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE
Formula:C24 H36 I N3 O3
SMILES:O=C(OC(C)(C)C)NCC#Cc1cc(c(O)c(I)c1)CN2CCC(N(CC)CC)CC2
InChi:InChI=1S/C24H36IN3O3/c1-6-28(7-2)20-10-13-27(14-11-20)17-19-15-18(16-21(25)22(19)29)9-8-12-26-23(30)31-24(3,4)5/h15-16,20,29H,6-7,10-14,17H2,1-5H3,(H,26,30)
Definition date:2012-01-30
Last modified:2014-09-05
Identifier:tert-butyl [3-(3-{[4-(diethylamino)piperidin-1-yl]methyl}-4-hydroxy-5-iodophenyl)prop-2-yn-1-yl]carbamate
4V2
4V2
Name:3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL
Formula:C8 H6 N2 O2 S
SMILES:Sc1nnc(o1)c2cc(O)ccc2
InChi:InChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
Definition date:2011-12-10
Last modified:2014-09-05
Release date:2012-09-21
Identifier:3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenol
4VA
4VA
Name:(2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
Formula:C19 H23 Cl F N2 O2
SMILES:Clc2ccc(c(F)c2Oc1ccccc1)C([NH2+]C(C)CC(=O)N)CC
InChi:InChI=1S/C19H22ClFN2O2/c1-3-16(23-12(2)11-17(22)24)14-9-10-15(20)19(18(14)21)25-13-7-5-4-6-8-13/h4-10,12,16,23H,3,11H2,1-2H3,(H2,22,24)/p+1/t12-,16+/m0/s1
Definition date:2012-08-16
Last modified:2014-09-05
Release date:2012-09-28
Identifier:(2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
P85
P85
Name:N-[(4-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
Formula:C25 H27 F N2 O
SMILES:Fc1ccc(cc1)CNC(=O)C4CCN(C(c3c2ccccc2ccc3)C)CC4
InChi:InChI=1S/C25H27FN2O/c1-18(23-8-4-6-20-5-2-3-7-24(20)23)28-15-13-21(14-16-28)25(29)27-17-19-9-11-22(26)12-10-19/h2-12,18,21H,13-17H2,1H3,(H,27,29)/t18-/m1/s1
Definition date:2014-01-29
Last modified:2014-09-05
Release date:2014-04-23
Identifier:N-(4-fluorobenzyl)-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide
P86
P86
Name:2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL
Formula:C16 H24 I2 N2 O
SMILES:Ic1cc(c(O)c(I)c1)CN2CCC(N(CC)CC)CC2
InChi:InChI=1S/C16H24I2N2O/c1-3-20(4-2)14-5-7-19(8-6-14)11-12-9-13(17)10-15(18)16(12)21/h9-10,14,21H,3-8,11H2,1-2H3
Definition date:2012-01-30
Last modified:2014-09-05
Identifier:2-{[4-(diethylamino)piperidin-1-yl]methyl}-4,6-diiodophenol

224931

건을2024-09-11부터공개중

PDB statisticsPDBj update infoContact PDBjnumon