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
NC1
NC1
表記:NITROCEFIN ACYL-SERINE
組成式:C24 H21 N5 O11 S2
SMILES:[O-]C(=O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C([O-])=O)C=Cc3ccc([N+]([O-])=O)cc3[N+]([O-])=O
InChi:InChI=1S/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/p-2/b4-3+/t16-,20-,21+/m0/s1
定義日:2002-10-08
最終更新日:2024-09-27
識別子（ID）:(2R)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate
TA2
TA2
表記:(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL
組成式:C9 H11 N O3
SMILES:OCC(O)C(N)c1ccccc1
InChi:InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
定義日:2006-09-22
最終更新日:2024-09-27
識別子（ID）:(2R,3S)-3-amino-3-phenylpropane-1,2-diol
C8D
C8D
表記:N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE
組成式:C29 H40 B N4 O8
SMILES:O=C(N3C(C(=O)NC(B([O-])O)CCO)CC(Oc1nccc2c1cccc2)C3)C(NC(=O)OC4CCCC4)C(C)(C)C
InChi:InChI=1S/C29H40BN4O8/c1-29(2,3)24(33-28(38)42-19-9-5-6-10-19)27(37)34-17-20(16-22(34)25(36)32-23(13-15-35)30(39)40)41-26-21-11-7-4-8-18(21)12-14-31-26/h4,7-8,11-12,14,19-20,22-24,35,39H,5-6,9-10,13,15-17H2,1-3H3,(H,32,36)(H,33,38)/q-1/t20-,22+,23+,24-/m1/s1
定義日:2010-04-23
最終更新日:2024-09-27
識別子（ID）:N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-L-prolinamide
BOV
BOV
表記:4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
組成式:C22 H27 F2 N5 O4
SMILES:CC(C)C[CH](NC(=O)c1[nH]c2cccc(F)c2c1)C(=O)NN(C[CH]3CCNC3=O)C(=O)CF
InChi:InChI=1S/C22H27F2N5O4/c1-12(2)8-17(27-21(32)18-9-14-15(24)4-3-5-16(14)26-18)22(33)28-29(19(30)10-23)11-13-6-7-25-20(13)31/h3-5,9,12-13,17,26H,6-8,10-11H2,1-2H3,(H,25,31)(H,27,32)(H,28,33)/t13-,17-/m0/s1
定義日:2022-03-29
最終更新日:2024-09-27
公開日:2022-11-09
識別子（ID）:4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
DEU
DEU
表記:CO(III)-(DEUTEROPORPHYRIN IX)
組成式:C30 H28 Co N4 O4
SMILES:O=C(O)CCC1=C(c4[n+]3C1=Cc8c(c(c7cc2C(=CC6=[n+]2[Co+3]3(n5c(c4)C=C(C5=C6)C)n78)C)C)CCC(=O)O)C
InChi:InChI=1S/C30H30N4O4.Co/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20
定義日:2002-02-26
最終更新日:2024-09-27
識別子（ID）:[3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]cobalt(5+)
2L5
2L5
表記:2-chloro-L-phenylalanine
組成式:C9 H10 Cl N O2
SMILES:Clc1ccccc1CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-10-15
識別子（ID）:2-chloro-L-phenylalanine
HQE
HQE
表記:benzene-1,4-diol
組成式:C6 H6 O2
SMILES:Oc1ccc(O)cc1
InChi:InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
定義日:2012-03-14
最終更新日:2024-09-27
識別子（ID）:benzene-1,4-diol
7DH
7DH
表記:(3E)-5-hydroxy-2-oxopent-3-enoic acid
組成式:C5 H6 O4
SMILES:C(O)C=CC(C(=O)O)=O
InChi:InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h1-2,6H,3H2,(H,8,9)/b2-1+
定義日:2016-10-10
最終更新日:2024-09-27
公開日:2018-02-21
識別子（ID）:(3E)-5-hydroxy-2-oxopent-3-enoic acid
7WO
7WO
表記:2-hydroxynaphthalene-1-carbaldehyde
組成式:C11 H8 O2
SMILES:c2ccc1c(C=O)c(ccc1c2)O
InChi:InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
定義日:2016-12-09
最終更新日:2024-09-27
公開日:2017-02-15
識別子（ID）:2-hydroxynaphthalene-1-carbaldehyde
1G5
1G5
表記:HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form
組成式:C28 H40 N4 O7 S
SMILES:O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)c1cccc(O)c1C)C(C)C)CO)Cc2ccc(cc2)CN
InChi:InChI=1S/C28H40N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-11,17,21,23,25,33-34H,12-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/t21-,23+,25+/m1/s1
定義日:2013-01-22
最終更新日:2024-09-27
公開日:2013-01-25
識別子（ID）:N-(3-hydroxy-2-methylbenzoyl)-L-valyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-yl]-L-serinamide
AGQ
AGQ
表記:3-[(3E)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
組成式:C10 H13 N5 O4
SMILES:O=C1C=C(O)/C(=N/NC(=[N@H])N)C=C1CC(C(=O)O)N
InChi:InChI=1S/C10H13N5O4/c11-5(9(18)19)1-4-2-6(14-15-10(12)13)8(17)3-7(4)16/h2-3,5,17H,1,11H2,(H,18,19)(H4,12,13,15)/b14-6+/t5-/m0/s1
定義日:2010-05-17
最終更新日:2024-09-27
識別子（ID）:3-[(3E)-3-(2-carbamimidoylhydrazinylidene)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
O1O
O1O
表記:1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
組成式:C21 H19 F3 N2 O7 S
SMILES:CN1C(=O)N(C(=O)C=C1C(F)(F)F)c2c(C)c(ccc2[S](C)(=O)=O)C(=O)C3=C(O)CCCC3=O
InChi:InChI=1S/C21H19F3N2O7S/c1-10-11(19(30)17-12(27)5-4-6-13(17)28)7-8-14(34(3,32)33)18(10)26-16(29)9-15(21(22,23)24)25(2)20(26)31/h7-9,27H,4-6H2,1-3H3
定義日:2023-01-20
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
COH
COH
表記:PROTOPORPHYRIN IX CONTAINING CO
組成式:C34 H32 Co N4 O4
SMILES:CC1=C(CCC(O)=O)C2=Cc3n4[Co][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C
InChi:InChI=1S/C34H34N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
定義日:1999-07-08
最終更新日:2023-09-23
FDE
FDE
表記:FE(III) DEUTEROPORPHYRIN IX
組成式:C30 H28 Fe N4 O4
SMILES:CC1=CC2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4cc3C)C(=C6CCC(O)=O)C)C
InChi:InChI=1S/C30H30N4O4.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20
定義日:2005-09-13
最終更新日:2023-09-23
Z0I
Z0I
表記:N-(1H-indol-7-yl)acetamide
組成式:C10 H10 N2 O
SMILES:CC(=O)Nc1cccc2cc[NH]c12
InChi:InChI=1S/C10H10N2O/c1-7(13)12-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3,(H,12,13)
定義日:2023-06-22
最終更新日:2023-07-07
公開日:2023-07-12
識別子（ID）:N-(1H-indol-7-yl)acetamide
RM6
RM6
表記:[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
組成式:C15 H16 N2 O3 S
SMILES:O=C(O)CC1CC(C1)CNC(=O)c1cc2ccsc2cn1
InChi:InChI=1S/C15H16N2O3S/c18-14(19)5-9-3-10(4-9)7-17-15(20)12-6-11-1-2-21-13(11)8-16-12/h1-2,6,8-10H,3-5,7H2,(H,17,20)(H,18,19)/t9-,10-
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
QZO
QZO
表記:(1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
組成式:C17 H15 F N4 O2
SMILES:O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m1/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
QZX
QZX
表記:(1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
組成式:C17 H15 F N4 O2
SMILES:O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m0/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
UAT
UAT
表記:4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
組成式:C14 H20 N2 O
SMILES:CC1CCN(CC1)C(=O)NCc2ccccc2
InChi:InChI=1S/C14H20N2O/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
TO7
TO7
表記:(4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
組成式:C17 H18 N4 O3 S
SMILES:c4ccc(c(C(c1sc(nc1N)NC3C2CCC(C2)C3)=O)c4)[N+]([O-])=O
InChi:InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m1/s1
別名:MC180295
定義日:2020-03-25
最終更新日:2021-08-27
公開日:2021-09-01
識別子（ID）:(4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
TOJ
TOJ
表記:(4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
組成式:C17 H18 N4 O3 S
SMILES:c1cc(c(cc1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC4C3CC(CC3)C4)N
InChi:InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m0/s1
定義日:2020-03-25
最終更新日:2021-08-27
公開日:2021-09-01
識別子（ID）:(4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
QHV
QHV
表記:(R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
組成式:C44 H37 Cl N2 O4 S
SMILES:N(C(C(O)=O)CSCc1ccccc1)C(N(C(c5ccc(c4cc(c3ccccc3c2ccc(Cl)cc2)ccc4)cc5)=O)Cc6ccc(cc6)C)=O
InChi:InChI=1S/C44H37ClN2O4S/c1-30-14-16-31(17-15-30)27-47(44(51)46-41(43(49)50)29-52-28-32-8-3-2-4-9-32)42(48)35-20-18-33(19-21-35)36-10-7-11-37(26-36)40-13-6-5-12-39(40)34-22-24-38(45)25-23-34/h2-26,41H,27-29H2,1H3,(H,46,51)(H,49,50)/t41-/m0/s1
定義日:2019-11-04
最終更新日:2021-04-30
公開日:2021-05-05
識別子（ID）:S-benzyl-N-{(1~4~-chloro[1~1~,2~1~:2~2~,3~1~:3~3~,4~1~-quaterphenyl]-4~4~-carbonyl)[(4-methylphenyl)methyl]carbamoyl}-L-cysteine
N7I
N7I
表記:4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
組成式:C10 H12 O3
SMILES:Oc1ccc(cc1OC)/C=C/CO
InChi:InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
別名:Coniferyl alcohol
定義日:2010-06-02
最終更新日:2021-03-01
公開日:2012-08-24
識別子（ID）:4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
B40
B40
表記:(2S)-N-methyl-1-phenylpropan-2-amine
組成式:C10 H15 N
SMILES:N(C(Cc1ccccc1)C)C
InChi:InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
別名:Methamphetamine
定義日:2009-03-19
最終更新日:2021-03-01
識別子（ID）:(2S)-N-methyl-1-phenylpropan-2-amine
FC6
FC6
表記:HEXACYANOFERRATE(3-)
組成式:C6 Fe N6
SMILES:N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
InChi:InChI=1S/6CN.Fe/c6*1-2
別名:FERRI(III)HEXACYANIDE
定義日:2006-10-19
最終更新日:2021-03-01
識別子（ID）:hexakis(cyano-kappaC)iron

 

1234>

226262

件を2024-10-16に公開中

PDB statisticsPDBj update infoContact PDBjnumon