![L9H L9H](https://data.pdbj.org/pdbjplus/data/cc/svg/L9H.svg) | L9H | Name: | [(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] octadecanoate | Formula: | C45 H89 O12 P | SMILES: | CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C45H89O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-54-36-38(37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51)56-39(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,40-45,47-51H,3-37H2,1-2H3,(H,52,53)/t38-,40-,41-,42+,43-,44-,45-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-12-15 | Release date: | 2023-12-20 | Identifier: | [(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] octadecanoate |
|
![LYI LYI](https://data.pdbj.org/pdbjplus/data/cc/svg/LYI.svg) | LYI | Name: | [(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate | Formula: | C47 H85 O12 P | SMILES: | CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC | InChi: | InChI=1S/C47H85O12P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(48)58-40(39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53)38-56-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,40,42-47,49-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-39H2,1-2H3,(H,54,55)/b13-11-,19-17-,24-22-,30-28-/t40-,42-,43-,44+,45-,46-,47-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-12-15 | Release date: | 2023-12-20 | Identifier: | [(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate |
|
![M9L M9L](https://data.pdbj.org/pdbjplus/data/cc/svg/M9L.svg) | M9L | Name: | (2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid | Formula: | C9 H10 N2 O4 | SMILES: | NC(=O)N[CH](C(O)=O)c1ccc(O)cc1 | InChi: | InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)/t7-/m1/s1 | Definition date: | 2022-12-23 | Last modified: | 2023-12-15 | Release date: | 2023-12-20 | Identifier: | (2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid |
|
![M9R M9R](https://data.pdbj.org/pdbjplus/data/cc/svg/M9R.svg) | M9R | Name: | 3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid | Formula: | C25 H21 F4 N3 O3 | SMILES: | OC(=O)c1ccc(N2CCN(CC2)c3cccc(c3)C(F)(F)F)c(NC(=O)c4ccc(F)cc4)c1 | InChi: | InChI=1S/C25H21F4N3O3/c26-19-7-4-16(5-8-19)23(33)30-21-14-17(24(34)35)6-9-22(21)32-12-10-31(11-13-32)20-3-1-2-18(15-20)25(27,28)29/h1-9,14-15H,10-13H2,(H,30,33)(H,34,35) | Definition date: | 2022-12-23 | Last modified: | 2023-12-15 | Release date: | 2023-12-20 | Identifier: | 3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid |
|
![MBI MBI](https://data.pdbj.org/pdbjplus/data/cc/svg/MBI.svg) | MBI | Name: | 3-[(4-bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid | Formula: | C25 H23 Br Cl N3 O3 | SMILES: | Cc1ccc(Cl)cc1N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(Br)cc4)C(O)=O | InChi: | InChI=1S/C25H23BrClN3O3/c1-16-2-8-20(27)15-23(16)30-12-10-29(11-13-30)22-9-5-18(25(32)33)14-21(22)28-24(31)17-3-6-19(26)7-4-17/h2-9,14-15H,10-13H2,1H3,(H,28,31)(H,32,33) | Definition date: | 2022-12-23 | Last modified: | 2023-12-15 | Release date: | 2023-12-20 | Identifier: | 3-[(4-bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid |
|
![J6U J6U](https://data.pdbj.org/pdbjplus/data/cc/svg/J6U.svg) | J6U | Name: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide | Formula: | C38 H37 F2 N7 O8 S2 | SMILES: | O=S(=O)(N1CCOCC1)c1ccc(cc1)N1C(=Nc2ccccc2C1=O)C(Cc1cc(F)cc(F)c1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc(N)cc1 | InChi: | InChI=1S/C38H37F2N7O8S2/c39-26-19-25(20-27(40)22-26)21-34(42-35(48)23-44-13-14-46(24-36(44)49)57(53,54)30-9-5-28(41)6-10-30)37-43-33-4-2-1-3-32(33)38(50)47(37)29-7-11-31(12-8-29)56(51,52)45-15-17-55-18-16-45/h1-12,19-20,22,34H,13-18,21,23-24,41H2,(H,42,48) | Definition date: | 2023-08-07 | Last modified: | 2023-12-15 | Release date: | 2023-12-20 | Identifier: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide |
|
![VJF VJF](https://data.pdbj.org/pdbjplus/data/cc/svg/VJF.svg) | VJF | Name: | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid | Formula: | C14 H15 N3 O6 S2 | SMILES: | ON1C(=CSC1=NC(=O)CCN[S](=O)(=O)c2ccccc2)CC(O)=O | InChi: | InChI=1S/C14H15N3O6S2/c18-12(16-14-17(21)10(9-24-14)8-13(19)20)6-7-15-25(22,23)11-4-2-1-3-5-11/h1-5,9,15,21H,6-8H2,(H,19,20)/b16-14- | Definition date: | 2023-07-27 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid |
|
![XDF XDF](https://data.pdbj.org/pdbjplus/data/cc/svg/XDF.svg) | XDF | Name: | 6,8-dimethoxy-2-methylquinolin-4-amine | Formula: | C12 H14 N2 O2 | SMILES: | COc1cc(cc2c(N)cc(C)nc12)OC | InChi: | InChI=1S/C12H14N2O2/c1-7-4-10(13)9-5-8(15-2)6-11(16-3)12(9)14-7/h4-6H,1-3H3,(H2,13,14) | Definition date: | 2022-11-11 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 6,8-dimethoxy-2-methylquinolin-4-amine |
|
![VK6 VK6](https://data.pdbj.org/pdbjplus/data/cc/svg/VK6.svg) | VK6 | Name: | 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid | Formula: | C16 H17 N3 O6 S2 | SMILES: | ON1C(=CSC1=NC(=O)[CH]2CCN(C2)[S](=O)(=O)c3ccccc3)CC(O)=O | InChi: | InChI=1S/C16H17N3O6S2/c20-14(21)8-12-10-26-16(19(12)23)17-15(22)11-6-7-18(9-11)27(24,25)13-4-2-1-3-5-13/h1-5,10-11,23H,6-9H2,(H,20,21)/b17-16-/t11-/m1/s1 | Definition date: | 2023-07-27 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid |
|
![YDO YDO](https://data.pdbj.org/pdbjplus/data/cc/svg/YDO.svg) | YDO | Name: | 5'-deoxy-5'-(ethylsulfamamido)adenosine | Formula: | C12 H19 N7 O5 S | SMILES: | CCNS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C12H19N7O5S/c1-2-17-25(22,23)18-3-6-8(20)9(21)12(24-6)19-5-16-7-10(13)14-4-15-11(7)19/h4-6,8-9,12,17-18,20-21H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | Definition date: | 2023-12-01 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 5'-deoxy-5'-(ethylsulfamamido)adenosine |
|
![O7I O7I](https://data.pdbj.org/pdbjplus/data/cc/svg/O7I.svg) | O7I | Name: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid | Formula: | C22 H22 N2 O3 | SMILES: | O=C(O)c1ccc(cc1C1CCCC1)c1ncnc2cc(ccc21)OCC | InChi: | InChI=1S/C22H22N2O3/c1-2-27-16-8-10-18-20(12-16)23-13-24-21(18)15-7-9-17(22(25)26)19(11-15)14-5-3-4-6-14/h7-14H,2-6H2,1H3,(H,25,26) | Definition date: | 2023-08-17 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid |
|
![UDI UDI](https://data.pdbj.org/pdbjplus/data/cc/svg/UDI.svg) | UDI | Name: | butane-1,4-dithiol | Formula: | C4 H10 S2 | SMILES: | SCCCCS | InChi: | InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2 | Synonyms: | 1,2-dithiane 1-oxide (reacted) | Definition date: | 2023-02-01 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | butane-1,4-dithiol |
|
![W2T W2T](https://data.pdbj.org/pdbjplus/data/cc/svg/W2T.svg) | W2T | Name: | (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide | Formula: | C26 H24 Cl F N4 O3 | SMILES: | Fc1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)NC(=O)C/2=C/c1[NH]c(C)c(NC(=O)CCl)c1C | InChi: | InChI=1S/C26H24ClFN4O3/c1-13-22(29-15(3)24(13)32-23(33)12-27)11-20-19-10-17(6-9-21(19)31-26(20)35)25(34)30-14(2)16-4-7-18(28)8-5-16/h4-11,14,29H,12H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)/b20-11-/t14-/m1/s1 | Definition date: | 2023-09-22 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide |
|
![W3F W3F](https://data.pdbj.org/pdbjplus/data/cc/svg/W3F.svg) | W3F | Name: | (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide | Formula: | C30 H27 F N4 O5 | SMILES: | O=C(Nc1c(C)c(/C=C2/c3cc(ccc3NC2=O)C(=O)NC(C)c2ccc(F)cc2)[NH]c1C)C(O)c1ccco1 | InChi: | InChI=1S/C30H27FN4O5/c1-15-24(32-17(3)26(15)35-30(39)27(36)25-5-4-12-40-25)14-22-21-13-19(8-11-23(21)34-29(22)38)28(37)33-16(2)18-6-9-20(31)10-7-18/h4-14,16,27,32,36H,1-3H3,(H,33,37)(H,34,38)(H,35,39)/b22-14-/t16-,27+/m1/s1 | Definition date: | 2023-09-22 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide |
|
![XHZ XHZ](https://data.pdbj.org/pdbjplus/data/cc/svg/XHZ.svg) | XHZ | Name: | 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde | Formula: | C13 H8 O2 | SMILES: | C#Cc1cc2ccc(O)c(C=O)c2cc1 | InChi: | InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H | Definition date: | 2023-06-06 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde |
|
![XJB XJB](https://data.pdbj.org/pdbjplus/data/cc/svg/XJB.svg) | XJB | Name: | 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid | Formula: | C23 H26 N4 O5 | SMILES: | Nc1nc(c2ccc(OC)cc2)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | InChi: | InChI=1S/C23H26N4O5/c1-30-17-10-7-16(8-11-17)20-21(22(24)27-23(25)26-20)32-14-4-13-31-18-6-3-2-5-15(18)9-12-19(28)29/h2-3,5-8,10-11H,4,9,12-14H2,1H3,(H,28,29)(H4,24,25,26,27) | Definition date: | 2022-11-22 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid |
|
![YIZ YIZ](https://data.pdbj.org/pdbjplus/data/cc/svg/YIZ.svg) | YIZ | Name: | 4-(acetamidomethyl)-N-hydroxybenzamide | Formula: | C10 H12 N2 O3 | SMILES: | ONC(=O)c1ccc(CNC(C)=O)cc1 | InChi: | InChI=1S/C10H12N2O3/c1-7(13)11-6-8-2-4-9(5-3-8)10(14)12-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14) | Definition date: | 2023-02-06 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 4-(acetamidomethyl)-N-hydroxybenzamide |
|
![XJN XJN](https://data.pdbj.org/pdbjplus/data/cc/svg/XJN.svg) | XJN | Name: | 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid | Formula: | C21 H30 N4 O4 | SMILES: | Nc1nc(CCCCC)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | InChi: | InChI=1S/C21H30N4O4/c1-2-3-4-9-16-19(20(22)25-21(23)24-16)29-14-7-13-28-17-10-6-5-8-15(17)11-12-18(26)27/h5-6,8,10H,2-4,7,9,11-14H2,1H3,(H,26,27)(H4,22,23,24,25) | Definition date: | 2022-11-23 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid |
|
![YJ5 YJ5](https://data.pdbj.org/pdbjplus/data/cc/svg/YJ5.svg) | YJ5 | Name: | 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide | Formula: | C17 H26 N2 O3 | SMILES: | CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO | InChi: | InChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21) | Definition date: | 2023-02-06 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide |
|
![XJT XJT](https://data.pdbj.org/pdbjplus/data/cc/svg/XJT.svg) | XJT | Name: | 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid | Formula: | C23 H23 F3 N4 O4 | SMILES: | Nc1nc(c2cc(ccc2)C(F)(F)F)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | InChi: | InChI=1S/C23H23F3N4O4/c24-23(25,26)16-7-3-6-15(13-16)19-20(21(27)30-22(28)29-19)34-12-4-11-33-17-8-2-1-5-14(17)9-10-18(31)32/h1-3,5-8,13H,4,9-12H2,(H,31,32)(H4,27,28,29,30) | Definition date: | 2022-11-23 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid |
|
![XJZ XJZ](https://data.pdbj.org/pdbjplus/data/cc/svg/XJZ.svg) | XJZ | Name: | 3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid | Formula: | C23 H23 F3 N4 O4 | SMILES: | Nc1nc(c2ccc(cc2)C(F)(F)F)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | InChi: | InChI=1S/C23H23F3N4O4/c24-23(25,26)16-9-6-15(7-10-16)19-20(21(27)30-22(28)29-19)34-13-3-12-33-17-5-2-1-4-14(17)8-11-18(31)32/h1-2,4-7,9-10H,3,8,11-13H2,(H,31,32)(H4,27,28,29,30) | Definition date: | 2022-11-23 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid |
|
![XK8 XK8](https://data.pdbj.org/pdbjplus/data/cc/svg/XK8.svg) | XK8 | Name: | 3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid | Formula: | C20 H28 N4 O5 | SMILES: | Nc1nc(CCCCO)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | InChi: | InChI=1S/C20H28N4O5/c21-19-18(15(7-3-4-11-25)23-20(22)24-19)29-13-5-12-28-16-8-2-1-6-14(16)9-10-17(26)27/h1-2,6,8,25H,3-5,7,9-13H2,(H,26,27)(H4,21,22,23,24) | Definition date: | 2022-11-23 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid |
|
![XKI XKI](https://data.pdbj.org/pdbjplus/data/cc/svg/XKI.svg) | XKI | Name: | 3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid | Formula: | C23 H23 F3 N4 O4 | SMILES: | Nc1nc(c2ccccc2C(F)(F)F)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | InChi: | InChI=1S/C23H23F3N4O4/c24-23(25,26)16-8-3-2-7-15(16)19-20(21(27)30-22(28)29-19)34-13-5-12-33-17-9-4-1-6-14(17)10-11-18(31)32/h1-4,6-9H,5,10-13H2,(H,31,32)(H4,27,28,29,30) | Definition date: | 2022-11-23 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid |
|
![WOK WOK](https://data.pdbj.org/pdbjplus/data/cc/svg/WOK.svg) | WOK | Name: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C30 H37 F4 N5 O5 S | SMILES: | FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(F)ccc3s1)C2(C)C)C(C)(C)C | InChi: | InChI=1S/C30H37F4N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-15-19(29(15,4)5)20(39)24(42)36-17(10-13-8-9-35-23(13)41)21(40)25-37-16-11-14(31)6-7-18(16)45-25/h6-7,11,13,15,17,19-22,40H,8-10,12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,15-,17-,19-,20-,21-,22+/m0/s1 | Synonyms: | Inhibitor TKB-272, hemithioacetal bound form | Definition date: | 2023-10-09 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
|
![UHU UHU](https://data.pdbj.org/pdbjplus/data/cc/svg/UHU.svg) | UHU | Name: | (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol | Formula: | C6 H11 N O3 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12 | InChi: | InChI=1S/C6H11NO3/c8-1-2-3-4(7-3)6(10)5(2)9/h2-10H,1H2/t2-,3+,4+,5+,6+/m1/s1 | Definition date: | 2023-09-05 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol |
|