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
X1F
X1F
表記:5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
組成式:C15 H23 N O11
SMILES:OC(=O)C1(O)CC(O)C(NC(C)=O)C(O1)C(OC(C)=O)C(O)COC(C)=O
InChi:InChI=1S/C15H23NO11/c1-6(17)16-11-9(20)4-15(24,14(22)23)27-13(11)12(26-8(3)19)10(21)5-25-7(2)18/h9-13,20-21,24H,4-5H2,1-3H3,(H,16,17)(H,22,23)/t9-,10+,11+,12+,13+,15+/m0/s1
定義日:2023-10-18
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
XJF
XJF
表記:[(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methyl N-phenylcarbamate
組成式:C17 H24 N2 O2
SMILES:O=C(Nc1ccccc1)OC[C]23CCCC[CH]2NCCC3
InChi:InChI=1S/C17H24N2O2/c20-16(19-14-7-2-1-3-8-14)21-13-17-10-5-4-9-15(17)18-12-6-11-17/h1-3,7-8,15,18H,4-6,9-13H2,(H,19,20)/t15-,17+/m1/s1
定義日:2023-11-02
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:[(4~{a}~{R},8~{a}~{R})-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-quinolin-4~{a}-yl]methyl ~{N}-phenylcarbamate
X6R
X6R
表記:6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine
組成式:C16 H11 F N4
SMILES:Nc1c2cc(ncc2ccc1F)n1ccc2ccncc21
InChi:InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2
定義日:2023-10-24
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine
WAR
WAR
表記:~{N}-[(2~{S},3~{S},4~{R})-1,3,4-tris(oxidanyl)octadecan-2-yl]heptacosanamide
組成式:C45 H91 N O4
SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCCCCCCCCC
InChi:InChI=1S/C45H91NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-44(49)46-42(41-47)45(50)43(48)39-37-35-33-31-29-16-14-12-10-8-6-4-2/h42-43,45,47-48,50H,3-41H2,1-2H3,(H,46,49)/t42-,43+,45-/m0/s1
定義日:2023-10-03
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:~{N}-[(2~{S},3~{S},4~{R})-1,3,4-tris(oxidanyl)octadecan-2-yl]heptacosanamide
WC3
WC3
表記:2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-methyl-N-[(2-methylpyridin-3-yl)methyl]ethanamide
組成式:C26 H28 N6 O3
SMILES:COc1ccc(cc1)c2cc(OCC(=O)N(C)Cc3cccnc3C)nc(n2)n4nc(C)cc4C
InChi:InChI=1S/C26H28N6O3/c1-17-13-18(2)32(30-17)26-28-23(20-8-10-22(34-5)11-9-20)14-24(29-26)35-16-25(33)31(4)15-21-7-6-12-27-19(21)3/h6-14H,15-16H2,1-5H3
定義日:2023-05-10
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-~{N}-methyl-~{N}-[(2-methylpyridin-3-yl)methyl]ethanamide
VWF
VWF
表記:1H-benzotriazole-5-carbonitrile
組成式:C7 H4 N4
SMILES:N#Cc1ccc2[nH]nnc2c1
InChi:InChI=1S/C7H4N4/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,(H,9,10,11)
別名:5-cyanobenzotriazole
定義日:2023-08-30
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:1~{H}-benzotriazole-5-carbonitrile
UB0
UB0
表記:(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid
組成式:C46 H49 Cl N6 O12 S2
SMILES:O=C1NC(=O)CCC1N1c2ccc(cc2OC1=O)C1CCN(CC1)CC(=O)Nc1cccc(c1)CS(=O)(=O)N1CCC(CC1(C)C)Nc1cccc(c1)c1sc(c(OCC(=O)O)c1Cl)C(=O)O
InChi:InChI=1S/C46H49ClN6O12S2/c1-46(2)22-32(48-31-8-4-6-29(20-31)41-39(47)40(64-24-38(56)57)42(66-41)44(59)60)15-18-52(46)67(62,63)25-26-5-3-7-30(19-26)49-37(55)23-51-16-13-27(14-17-51)28-9-10-33-35(21-28)65-45(61)53(33)34-11-12-36(54)50-43(34)58/h3-10,19-21,27,32,34,48H,11-18,22-25H2,1-2H3,(H,49,55)(H,56,57)(H,59,60)(H,50,54,58)/t32-,34+/m0/s1
定義日:2023-08-31
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid
K8L
K8L
表記:N-[(1,3-thiazol-5-yl)methyl]acetamide
組成式:C6 H8 N2 O S
SMILES:O=C(C)NCc1cncs1
InChi:InChI=1S/C6H8N2OS/c1-5(9)8-3-6-2-7-4-10-6/h2,4H,3H2,1H3,(H,8,9)
定義日:2023-08-10
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:N-[(1,3-thiazol-5-yl)methyl]acetamide
V6X
V6X
表記:4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine
組成式:C21 H16 N4 O2
SMILES:Cc1cc(Oc2nccc3occc23)ccc1c4n5ccnc5cnc4C
InChi:InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3
別名:PF-6142
定義日:2023-07-07
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine
K96
K96
表記:N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
組成式:C10 H18 N2 O3
SMILES:O=C(NCC1CCCO1)N1CCOCC1
InChi:InChI=1S/C10H18N2O3/c13-10(12-3-6-14-7-4-12)11-8-9-2-1-5-15-9/h9H,1-8H2,(H,11,13)
定義日:2023-08-10
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
W1Q
W1Q
表記:(2~{S})-~{N}-[3-(4-azanyl-5-fluoranyl-quinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide
組成式:C19 H18 F N5 O3 S
SMILES:Nc1ncnc2cc(cc(F)c12)c3cccc(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4
InChi:InChI=1S/C19H18FN5O3S/c20-14-8-12(9-16-17(14)18(21)24-10-23-16)11-3-1-4-13(7-11)29(27,28)25-19(26)15-5-2-6-22-15/h1,3-4,7-10,15,22H,2,5-6H2,(H,25,26)(H2,21,23,24)/t15-/m1/s1
定義日:2023-09-12
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:(2~{S})-~{N}-[3-(4-azanyl-5-fluoranyl-quinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide
W20
W20
表記:(2~{S})-~{N}-[5-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-2-fluoranyl-phenyl]sulfonylpyrrolidine-2-carboxamide
組成式:C19 H17 F2 N5 O3 S
SMILES:Nc1ncnc2c(F)c(ccc12)c3ccc(F)c(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4
InChi:InChI=1S/C19H17F2N5O3S/c20-13-6-3-10(11-4-5-12-17(16(11)21)24-9-25-18(12)22)8-15(13)30(28,29)26-19(27)14-2-1-7-23-14/h3-6,8-9,14,23H,1-2,7H2,(H,26,27)(H2,22,24,25)
定義日:2023-09-12
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:(2~{S})-~{N}-[5-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-2-fluoranyl-phenyl]sulfonylpyrrolidine-2-carboxamide
K9N
K9N
表記:N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutanecarboxamide
組成式:C10 H14 N2 O S
SMILES:O=C(NCc1nc(C)cs1)C1CCC1
InChi:InChI=1S/C10H14N2OS/c1-7-6-14-9(12-7)5-11-10(13)8-3-2-4-8/h6,8H,2-5H2,1H3,(H,11,13)
定義日:2023-08-10
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutanecarboxamide
KA3
KA3
表記:N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide
組成式:C11 H20 N2 O2
SMILES:O=C(NCC1CC1)N1CCC(OC)CC1
InChi:InChI=1S/C11H20N2O2/c1-15-10-4-6-13(7-5-10)11(14)12-8-9-2-3-9/h9-10H,2-8H2,1H3,(H,12,14)
定義日:2023-08-10
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide
KB3
KB3
表記:(5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
組成式:C9 H9 N3 O2
SMILES:Nc1nnc(o1)c1ccccc1OC
InChi:InChI=1S/C9H9N3O2/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
定義日:2023-08-10
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:(5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
R89
R89
表記:11-[(3-chlorophenyl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5-trien-8-one
組成式:C24 H20 Cl F3 N4 O
SMILES:FC(F)(F)c1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(Cl)c4)C3)n5ccnc25)cc1
InChi:InChI=1S/C24H20ClF3N4O/c25-19-3-1-2-17(12-19)13-30-10-8-21-20(15-30)22(33)32(23-29-9-11-31(21)23)14-16-4-6-18(7-5-16)24(26,27)28/h1-7,9,11-12H,8,10,13-15H2
定義日:2023-09-05
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:11-[(3-chlorophenyl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5-trien-8-one
KF8
KF8
表記:N-[(3S)-piperidin-3-yl]benzamide
組成式:C12 H16 N2 O
SMILES:O=C(NC1CCCNC1)c1ccccc1
InChi:InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m0/s1
定義日:2023-08-11
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:N-[(3S)-piperidin-3-yl]benzamide
DVY
DVY
表記:4-(4-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}phenyl)pyridine-2-carboxylic acid
組成式:C21 H18 N8 O5 S
SMILES:O=C(Nc1ccc(cc1)c1ccnc(c1)C(=O)O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
InChi:InChI=1S/C21H18N8O5S/c22-19-27-20(25-14-5-7-16(8-6-14)35(23,33)34)28-29(19)21(32)26-15-3-1-12(2-4-15)13-9-10-24-17(11-13)18(30)31/h1-11H,(H,26,32)(H,30,31)(H2,23,33,34)(H3,22,25,27,28)
定義日:2021-11-30
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:4-(4-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}phenyl)pyridine-2-carboxylic acid
H9X
H9X
表記:5-bromanyl-N2-[(4-bromophenyl)-bis(oxidanyl)-$l^4-sulfanyl]-N1,N1,N3,N3-tetrakis(oxidanyl)benzene-1,2,3-triamine
組成式:C12 H13 Br2 N3 O6 S
SMILES:ON(O)c1cc(Br)cc(N(O)O)c1N[S](O)(O)c2ccc(Br)cc2
InChi:InChI=1S/C12H13Br2N3O6S/c13-7-1-3-9(4-2-7)24(22,23)15-12-10(16(18)19)5-8(14)6-11(12)17(20)21/h1-6,15,18-23H
定義日:2020-12-11
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:5-bromanyl-~{N}2-[(4-bromophenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-~{N}1,~{N}1,~{N}3,~{N}3-tetrakis(oxidanyl)benzene-1,2,3-triamine
6I6
6I6
表記:aficamten
組成式:C18 H19 N5 O2
SMILES:CCc1onc(n1)c2ccc3[CH](CCc3c2)NC(=O)c4cnn(C)c4
InChi:InChI=1S/C18H19N5O2/c1-3-16-21-17(22-25-16)12-4-6-14-11(8-12)5-7-15(14)20-18(24)13-9-19-23(2)10-13/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,20,24)/t15-/m1/s1
別名:~{N}-[(1~{R})-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1~{H}-inden-1-yl]-1-methyl-pyrazole-4-carboxamide
定義日:2021-07-27
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:~{N}-[(1~{R})-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1~{H}-inden-1-yl]-1-methyl-pyrazole-4-carboxamide
A1A23
A1A23
表記:2-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}pyridine-3-carboxylic acid
組成式:C15 H14 N4 O2 S2
SMILES:O=C(O)c1cccnc1SCc1nc(N)c2c(n1)sc(C)c2C
InChi:InChI=1S/C15H14N4O2S2/c1-7-8(2)23-14-11(7)12(16)18-10(19-14)6-22-13-9(15(20)21)4-3-5-17-13/h3-5H,6H2,1-2H3,(H,20,21)(H2,16,18,19)
定義日:2024-08-22
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:2-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}pyridine-3-carboxylic acid
A1ADE
A1ADE
表記:methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate
組成式:C25 H21 Cl N4 O4
SMILES:O=C(OC)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(c2c1)c1ccc(cc1)C(=O)NC
InChi:InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31)
定義日:2024-01-20
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate
A1IB8
A1IB8
表記:6-(4-cyclopropyl-6-methoxy-pyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
組成式:C27 H25 F3 N8 O
SMILES:COc1ncnc(C2CC2)c1c3ncc4cnn(Cc5ccc(cc5)c6nc(cn6C(C)C)C(F)(F)F)c4n3
InChi:InChI=1S/C27H25F3N8O/c1-15(2)37-13-20(27(28,29)30)35-24(37)18-6-4-16(5-7-18)12-38-25-19(11-34-38)10-31-23(36-25)21-22(17-8-9-17)32-14-33-26(21)39-3/h4-7,10-11,13-15,17H,8-9,12H2,1-3H3
定義日:2024-05-20
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:6-(4-cyclopropyl-6-methoxy-pyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
A1ICK
A1ICK
表記:(2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid
組成式:C24 H29 F2 N5 O2 S
SMILES:CSc1ccc(C[CH](C)C(O)=O)cc1Nc2nc(cc(C(F)F)c2C#N)N3CC[CH](C3)N(C)C
InChi:InChI=1S/C24H29F2N5O2S/c1-14(24(32)33)9-15-5-6-20(34-4)19(10-15)28-23-18(12-27)17(22(25)26)11-21(29-23)31-8-7-16(13-31)30(2)3/h5-6,10-11,14,16,22H,7-9,13H2,1-4H3,(H,28,29)(H,32,33)/t14-,16-/m0/s1
定義日:2024-06-03
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:(2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid
A1L2M
A1L2M
表記:4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide
組成式:C25 H28 N8 O
SMILES:C[CH](Nc1cc(nc2nc(nn12)C3CC3)N4CCN(CC4)C(N)=O)c5ccc6ccccc6c5
InChi:InChI=1S/C25H28N8O/c1-16(19-9-6-17-4-2-3-5-20(17)14-19)27-22-15-21(31-10-12-32(13-11-31)24(26)34)28-25-29-23(18-7-8-18)30-33(22)25/h2-6,9,14-16,18,27H,7-8,10-13H2,1H3,(H2,26,34)/t16-/m1/s1
定義日:2024-06-27
最終更新日:2024-08-30
公開日:2024-09-04
識別子（ID）:4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide

226262

件を2024-10-16に公開中

PDB statisticsPDBj update infoContact PDBjnumon