Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PHB
PHB
表記:P-HYDROXYBENZOIC ACID
組成式:C7 H6 O3
SMILES:O=C(O)c1ccc(O)cc1
InChi:InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
定義日:1999-07-08
最終更新日:2011-08-22
識別子（ID）:4-hydroxybenzoic acid
VU2
VU2
表記:(2S)-2-[(4-CHLOROBENZYL)OXY]-2-PHENYLETHANAMINE
組成式:C15 H16 Cl N O
SMILES:Clc1ccc(cc1)COC(c2ccccc2)CN
InChi:InChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2/t15-/m1/s1
定義日:2010-08-06
最終更新日:2011-08-19
識別子（ID）:(2S)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine
VU3
VU3
表記:2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE
組成式:C21 H24 N2
SMILES:c2(cc1ccccc1n2)CCN4CCC(c3ccccc3)CC4
InChi:InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2
定義日:2010-08-06
最終更新日:2011-08-19
識別子（ID）:2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole
Z8B
Z8B
表記:5'-azido-8-bromo-5'-deoxyadenosine
組成式:C10 H11 Br N8 O3
SMILES:Brc2nc1c(ncnc1n2C3OC(C(O)C3O)CN=[N+]=[N-])N
InChi:InChI=1S/C10H11BrN8O3/c11-10-17-4-7(12)14-2-15-8(4)19(10)9-6(21)5(20)3(22-9)1-16-18-13/h2-3,5-6,9,20-21H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
定義日:2011-03-07
最終更新日:2011-08-19
識別子（ID）:5'-azido-8-bromo-5'-deoxyadenosine
30A
30A
表記:6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
組成式:C14 H10 Cl N3 O3
SMILES:O=C(O)c3cnn1c3nc(Cl)c(c1O)Cc2ccccc2
InChi:InChI=1S/C14H10ClN3O3/c15-11-9(6-8-4-2-1-3-5-8)13(19)18-12(17-11)10(7-16-18)14(20)21/h1-5,7,19H,6H2,(H,20,21)
定義日:2011-03-16
最終更新日:2011-08-19
識別子（ID）:6-benzyl-5-chloro-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
MW5
MW5
表記:6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
組成式:C12 H9 Cl N4 O
SMILES:ClC=2N=C1NC=NN1C(=O)C=2Cc3ccccc3
InChi:InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7H,6H2,(H,14,15,16)
定義日:2011-03-11
最終更新日:2011-08-19
識別子（ID）:6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
613
613
表記:4-(4-chlorophenyl)piperazine-1-carboximidamide
組成式:C11 H15 Cl N4
SMILES:Clc2ccc(N1CCN(C(=[N@H])N)CC1)cc2
InChi:InChI=1S/C11H15ClN4/c12-9-1-3-10(4-2-9)15-5-7-16(8-6-15)11(13)14/h1-4H,5-8H2,(H3,13,14)
定義日:2011-07-20
最終更新日:2011-08-19
識別子（ID）:4-(4-chlorophenyl)piperazine-1-carboximidamide
6BC
6BC
表記:5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
組成式:C14 H9 Cl N4 O
SMILES:Oc1n2ncc(C#N)c2nc(Cl)c1Cc3ccccc3
InChi:InChI=1S/C14H9ClN4O/c15-12-11(6-9-4-2-1-3-5-9)14(20)19-13(18-12)10(7-16)8-17-19/h1-5,8,20H,6H2
定義日:2011-03-11
最終更新日:2011-08-19
識別子（ID）:5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
6PB
6PB
表記:6-(3-bromophenyl)-7H-purin-2-amine
組成式:C11 H8 Br N5
SMILES:Brc3cccc(c1nc(nc2ncnc12)N)c3
InChi:InChI=1S/C11H8BrN5/c12-7-3-1-2-6(4-7)8-9-10(15-5-14-9)17-11(13)16-8/h1-5H,(H3,13,14,15,16,17)
定義日:2011-03-07
最終更新日:2011-08-19
識別子（ID）:6-(3-bromophenyl)-7H-purin-2-amine
3M1
3M1
表記:(3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
組成式:C13 H8 F N O5
SMILES:Fc2ccccc2C(=O)c1cc([N+]([O-])=O)c(O)c(O)c1
InChi:InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H
定義日:2011-03-07
最終更新日:2011-08-19
識別子（ID）:(3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
3RM
3RM
表記:5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine
組成式:C14 H19 Br N6 O
SMILES:Brc3ccc(OCCN2CCN(c1nnc(N)n1)CC2)cc3
InChi:InChI=1S/C14H19BrN6O/c15-11-1-3-12(4-2-11)22-10-9-20-5-7-21(8-6-20)14-17-13(16)18-19-14/h1-4H,5-10H2,(H3,16,17,18,19)
定義日:2011-07-19
最終更新日:2011-08-19
識別子（ID）:5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine
RM8
RM8
表記:2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
組成式:C19 H22 N4
SMILES:n1ccccc1N4CCN(Cc2c(nc3ccccc23)C)CC4
InChi:InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3
定義日:2011-07-20
最終更新日:2011-08-19
識別子（ID）:2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
SW1
SW1
表記:1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine
組成式:C8 H8 N2 S2
SMILES:s1cccc1c2nc(cs2)CN
InChi:InChI=1S/C8H8N2S2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2
定義日:2011-06-08
最終更新日:2011-08-19
識別子（ID）:1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine
SW2
SW2
表記:1-[3-(1H-pyrrol-1-yl)phenyl]methanamine
組成式:C11 H12 N2
SMILES:c1ccc(cc1CN)n2cccc2
InChi:InChI=1S/C11H12N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H,9,12H2
定義日:2011-06-08
最終更新日:2011-08-19
識別子（ID）:1-[3-(1H-pyrrol-1-yl)phenyl]methanamine
SW3
SW3
表記:1-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
組成式:C6 H11 N3
SMILES:n1c(cc(n1C)C)CN
InChi:InChI=1S/C6H11N3/c1-5-3-6(4-7)8-9(5)2/h3H,4,7H2,1-2H3
定義日:2011-06-08
最終更新日:2011-08-19
識別子（ID）:1-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
SZ1
SZ1
表記:cycloheptanamine
組成式:C7 H15 N
SMILES:NC1CCCCCC1
InChi:InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
定義日:2011-01-24
最終更新日:2011-08-19
識別子（ID）:cycloheptanamine
SZ3
SZ3
表記:trans-4-aminocyclohexanol
組成式:C6 H13 N O
SMILES:OC1CCC(N)CC1
InChi:InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/t5-,6-
定義日:2011-06-07
最終更新日:2011-08-19
識別子（ID）:trans-4-aminocyclohexanol
SZ4
SZ4
表記:1-(3-methoxyphenyl)methanamine
組成式:C8 H11 N O
SMILES:O(c1cc(ccc1)CN)C
InChi:InChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
定義日:2011-01-31
最終更新日:2011-08-19
識別子（ID）:1-(3-methoxyphenyl)methanamine
SZ8
SZ8
表記:methyl (4R)-4-amino-1-methyl-L-prolinate
組成式:C7 H14 N2 O2
SMILES:O=C(OC)C1N(C)CC(N)C1
InChi:InChI=1S/C7H14N2O2/c1-9-4-5(8)3-6(9)7(10)11-2/h5-6H,3-4,8H2,1-2H3/t5-,6+/m1/s1
定義日:2011-06-07
最終更新日:2011-08-19
識別子（ID）:methyl (4R)-4-amino-1-methyl-L-prolinate
SZ9
SZ9
表記:1-(2,5-dimethylfuran-3-yl)methanamine
組成式:C7 H11 N O
SMILES:o1c(cc(c1C)CN)C
InChi:InChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3
定義日:2011-06-08
最終更新日:2011-08-19
識別子（ID）:1-(2,5-dimethylfuran-3-yl)methanamine
03D
03D
表記:(2R,4S,5S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide
組成式:C30 H49 N O5
SMILES:O=C(NC(CC1CCCCC1)C(O)C(O)CC(C)C)C(CC2CC2)CC(O)C(O)Cc3ccccc3
InChi:InChI=1S/C30H49NO5/c1-20(2)15-28(34)29(35)25(17-21-9-5-3-6-10-21)31-30(36)24(16-23-13-14-23)19-27(33)26(32)18-22-11-7-4-8-12-22/h4,7-8,11-12,20-21,23-29,32-35H,3,5-6,9-10,13-19H2,1-2H3,(H,31,36)/t24-,25+,26+,27+,28+,29-/m1/s1
定義日:2011-08-12
最終更新日:2011-08-19
識別子（ID）:(2R,4S,5S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide
DOY
DOY
表記:[(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid
組成式:C17 H15 N O3 S
SMILES:O=C(O)CN2c3c(SC(c1ccccc1)CC2=O)cccc3
InChi:InChI=1S/C17H15NO3S/c19-16-10-15(12-6-2-1-3-7-12)22-14-9-5-4-8-13(14)18(16)11-17(20)21/h1-9,15H,10-11H2,(H,20,21)/t15-/m0/s1
定義日:2010-10-09
最終更新日:2011-08-19
識別子（ID）:[(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid
VH1
VH1
表記:2-(4-AMINOBENZYL)-1,3-DIOXO-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE-5-SULFONATE
組成式:C19 H13 N2 O5 S
SMILES:Nc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)[S](O)(=O)=O)cc1
InChi:InChI=1S/C19H14N2O5S/c20-13-6-4-11(5-7-13)10-21-18(22)15-3-1-2-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23/h1-9H,10,20H2,(H,24,25,26)/p-1
定義日:2010-11-25
最終更新日:2011-08-12
XVE
XVE
表記:PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE
組成式:C18 H18 Cl N O3
SMILES:ClCC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2
InChi:InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
定義日:2010-11-18
最終更新日:2011-08-12
識別子（ID）:phenylmethyl N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate
NJQ
NJQ
表記:3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid
組成式:C27 H28 N2 O3
SMILES:O=C(O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3nc(ccc3)CC4CCCCC4
InChi:InChI=1S/C27H28N2O3/c30-26(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(27(31)32)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,30)(H,31,32)
定義日:2010-06-22
最終更新日:2011-08-12
識別子（ID）:3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid

224931

件を2024-09-11に公開中

PDB statisticsPDBj update infoContact PDBjnumon