![PN0 PN0](https://data.pdbj.org/pdbjplus/data/cc/svg/PN0.svg) | PN0 | Name: | Prinomastat | Formula: | C18 H21 N3 O5 S2 | SMILES: | O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c3ccc(Oc2ccncc2)cc3 | InChi: | InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 | Synonyms: | (3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide | Definition date: | 2011-02-10 | Last modified: | 2021-03-13 | Identifier: | (3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide |
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![PN2 PN2](https://data.pdbj.org/pdbjplus/data/cc/svg/PN2.svg) | PN2 | Name: | 4'-(3-AMINOPROPIONIC) PHOSPHOPANTETHEINE | Formula: | C14 H26 N3 O8 P S | SMILES: | O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OCC(=C=O)/N | InChi: | InChI=1S/C14H26N3O8PS/c1-14(2,9-25-26(22,23)24-8-10(15)7-18)12(20)13(21)17-4-3-11(19)16-5-6-27/h12,20,27H,3-6,8-9,15H2,1-2H3,(H,16,19)(H,17,21)(H,22,23)/t12-/m0/s1 | Synonyms: | 2-AMINO-3-(HYDROXY-(3-HYDROXY-3-[2-(MERCAPTO-ETHYLCARBAMOYL]-2,2-DIMETHYL-PROPOXY-PHOSPHORYLOXY)-PROPIONIC ACID | Definition date: | 2000-07-13 | Last modified: | 2021-03-13 | Identifier: | N~3~-[(2R)-4-{[(S)-[(2-amino-3-oxoprop-2-en-1-yl)oxy](hydroxy)phosphoryl]oxy}-2-hydroxy-3,3-dimethylbutanoyl]-N-(2-sulfanylethyl)-beta-alaninamide |
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![PNK PNK](https://data.pdbj.org/pdbjplus/data/cc/svg/PNK.svg) | PNK | Name: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C16 H20 N2 O5 S | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)Cc2ccccc2 | InChi: | InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13+/m0/s1 | Synonyms: | Penicillin, hydroxylated form | Definition date: | 2009-06-22 | Last modified: | 2021-03-13 | Identifier: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![PNY PNY](https://data.pdbj.org/pdbjplus/data/cc/svg/PNY.svg) | PNY | Name: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide | Formula: | C11 H22 N2 O4 S | SMILES: | O=C(NCCS)CCNC(=O)C(O)C(C)(C)CO | InChi: | InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1 | Synonyms: | pantetheine | Definition date: | 2010-07-06 | Last modified: | 2021-03-13 | Identifier: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide |
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![BHQ BHQ](https://data.pdbj.org/pdbjplus/data/cc/svg/BHQ.svg) | BHQ | Name: | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | Formula: | C14 H22 O2 | SMILES: | Oc1cc(c(O)cc1C(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3 | Synonyms: | 2,5-DI-(TERT-BUTYL)-1,4,BENZOHYDROQUINONE | Definition date: | 2005-07-29 | Last modified: | 2021-03-13 | Identifier: | 2,5-di-tert-butylbenzene-1,4-diol |
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![BHY BHY](https://data.pdbj.org/pdbjplus/data/cc/svg/BHY.svg) | BHY | Name: | N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide | Formula: | C20 H28 N2 O4 S2 | SMILES: | O=S(=O)(NCC(c2ccc(c1ccc(cc1)C(CNS(=O)(=O)C)C)cc2)C)C | InChi: | InChI=1S/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16-/m0/s1 | Synonyms: | (R,R)-N,N-(2,2'-(biphenyl-4-4'-diyl)bis(propane-2,1-diyl))dimethanesulfonamide | Definition date: | 2007-11-12 | Last modified: | 2021-03-13 | Identifier: | N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide |
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![POU POU](https://data.pdbj.org/pdbjplus/data/cc/svg/POU.svg) | POU | Name: | Peloruside A | Formula: | C27 H48 O11 | SMILES: | O=C1OC(C(=C/C(CC)CO)C)CC(OC)CC(O)C(C)(C)C2(O)OC(CC(OC)C1O)CC(OC)C2O | InChi: | InChI=1S/C27H48O11/c1-8-16(14-28)9-15(2)19-10-17(34-5)13-22(29)26(3,4)27(33)24(31)21(36-7)12-18(38-27)11-20(35-6)23(30)25(32)37-19/h9,16-24,28-31,33H,8,10-14H2,1-7H3/b15-9-/t16-,17-,18+,19+,20-,21-,22+,23+,24-,27+/m1/s1 | Synonyms: | (1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one | Definition date: | 2014-01-31 | Last modified: | 2021-03-13 | Release date: | 2014-03-26 | Identifier: | (1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one |
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![PQR PQR](https://data.pdbj.org/pdbjplus/data/cc/svg/PQR.svg) | PQR | Name: | 4-[methyl(nitroso)amino]benzene-1,2-diol | Formula: | C7 H8 N2 O3 | SMILES: | O=NN(c1cc(O)c(O)cc1)C | InChi: | InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3 | Synonyms: | Methyl-3,4-dephostatin | Definition date: | 2012-01-03 | Last modified: | 2021-03-13 | Identifier: | 4-[methyl(nitroso)amino]benzene-1,2-diol |
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![PRT PRT](https://data.pdbj.org/pdbjplus/data/cc/svg/PRT.svg) | PRT | Name: | PHOSPHORIBOSYL ATP | Formula: | C15 H25 N5 O20 P4 | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=Nc3n(cnc3C2=N)[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]4O | InChi: | InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,25,26,27)(H2,28,29,30)/b16-12-/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Definition date: | 2003-08-15 | Last modified: | 2021-03-13 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![587 587](https://data.pdbj.org/pdbjplus/data/cc/svg/587.svg) | 587 | Name: | C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN | Formula: | C52 H76 N2 O13 | SMILES: | O=C5C(=O)N1CCCCC1C(=O)OC(C(=C/C4CCC(Oc3cc2ccn(c2cc3)C)C(OC)C4)/C)C(C)C(O)CC(=O)C(C=C(C(O)C(CC(OC)C6OC5(O)C(C)CC6OC)C)C)CC | InChi: | InChI=1S/C52H76N2O13/c1-11-35-23-29(2)46(57)30(3)24-44(63-9)48-45(64-10)25-32(5)52(61,67-48)49(58)50(59)54-20-13-12-14-39(54)51(60)66-47(33(6)40(55)28-41(35)56)31(4)22-34-15-18-42(43(26-34)62-8)65-37-16-17-38-36(27-37)19-21-53(38)7/h16-17,19,21-23,27,30,32-35,39-40,42-48,55,57,61H,11-15,18,20,24-26,28H2,1-10H3/b29-23+,31-22+/t30-,32-,33-,34+,35-,39+,40+,42-,43-,44+,45+,46-,47-,48-,52-/m1/s1 | Synonyms: | L-709,587 | Definition date: | 1999-07-08 | Last modified: | 2021-03-13 | Identifier: | (3S,4R,5S,8R,9E,11S,12R,14S,15R,16S,18R,19R,26aS)-8-ethyl-5,11,19-trihydroxy-14,16-dimethoxy-3-[(E)-2-{(1R,3R,4R)-3-methoxy-4-[(1-methyl-1H-indol-5-yl)oxy]cyclohexyl}-1-methylethenyl]-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone |
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![58F 58F](https://data.pdbj.org/pdbjplus/data/cc/svg/58F.svg) | 58F | Name: | p-iodo Hoechst | Formula: | C25 H23 I N6 | SMILES: | c1(I)ccc(cc1)c2nc3c(n2)ccc(c3)c4nc5c(n4)ccc(c5)N6CCN(CC6)C | InChi: | InChI=1S/C25H23IN6/c1-31-10-12-32(13-11-31)19-7-9-21-23(15-19)30-25(28-21)17-4-8-20-22(14-17)29-24(27-20)16-2-5-18(26)6-3-16/h2-9,14-15H,10-13H2,1H3,(H,27,29)(H,28,30) | Synonyms: | 2'-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole | Definition date: | 2015-08-20 | Last modified: | 2021-03-13 | Release date: | 2016-03-16 | Identifier: | 2'-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole |
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![PTB PTB](https://data.pdbj.org/pdbjplus/data/cc/svg/PTB.svg) | PTB | Name: | (5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)[(2R)-PYRROLIDIN-2-YL]METHANONE | Formula: | C11 H17 N3 O2 | SMILES: | O=C(c1nnc(o1)C(C)(C)C)C2NCCC2 | InChi: | InChI=1S/C11H17N3O2/c1-11(2,3)10-14-13-9(16-10)8(15)7-5-4-6-12-7/h7,12H,4-6H2,1-3H3/t7-/m0/s1 | Synonyms: | 2-PROLYL-5-TERT-BUTYL-[1,3,4]OXADIAZOLE | Definition date: | 2004-07-02 | Last modified: | 2021-03-13 | Identifier: | (5-tert-butyl-1,3,4-oxadiazol-2-yl)[(2S)-pyrrolidin-2-yl]methanone |
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![PTK PTK](https://data.pdbj.org/pdbjplus/data/cc/svg/PTK.svg) | PTK | Name: | pyrene-1,3,6,8-tetrasulfonic acid | Formula: | C16 H10 O12 S4 | SMILES: | O=S(=O)(O)c4cc(c2ccc1c(cc(c3c1c2c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | InChi: | InChI=1S/C16H10O12S4/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28) | Synonyms: | 1,3,6,8-pyrenetetrasulfonic acid | Definition date: | 2009-08-27 | Last modified: | 2021-03-13 | Identifier: | pyrene-1,3,6,8-tetrasulfonic acid |
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![5A2 5A2](https://data.pdbj.org/pdbjplus/data/cc/svg/5A2.svg) | 5A2 | Name: | 3,5-di-methylenebisphosphonate inositol tetrakisphosphate | Formula: | C8 H24 O28 P8 | SMILES: | C1(C(C(C(C(C1OP(O)(O)=O)OP(O)(CP(O)(O)=O)=O)OP(O)(=O)O)OP(CP(O)(O)=O)(=O)O)OP(O)(=O)O)OP(O)(O)=O | InChi: | InChI=1S/C8H24O28P8/c9-37(10,11)1-39(15,16)31-3-5(33-41(19,20)21)4(32-40(17,18)2-38(12,13)14)7(35-43(25,26)27)8(36-44(28,29)30)6(3)34-42(22,23)24/h3-8H,1-2H2,(H,15,16)(H,17,18)(H2,9,10,11)(H2,12,13,14)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t3-,4+,5-,6-,7-,8-/m1/s1 | Synonyms: | {[(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) | Definition date: | 2015-08-28 | Last modified: | 2021-03-13 | Release date: | 2016-08-10 | Identifier: | {[(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) |
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![PUQ PUQ](https://data.pdbj.org/pdbjplus/data/cc/svg/PUQ.svg) | PUQ | Name: | pelargonidin 3-O-beta-D-glucoside | Formula: | C21 H22 O10 | SMILES: | OC[CH]1O[CH](OC2=Cc3c(O)cc(O)cc3O[CH]2c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C21H22O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-28H,8H2/t16-,17-,18+,19-,20?,21+/m0/s1 | Synonyms: | (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2~{H}-chromen-3-yl]oxy]oxane-3,4,5-triol | Definition date: | 2020-04-28 | Last modified: | 2021-03-13 | Release date: | 2020-11-18 | Identifier: | (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2~{H}-chromen-3-yl]oxy]oxane-3,4,5-triol |
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![PVQ PVQ](https://data.pdbj.org/pdbjplus/data/cc/svg/PVQ.svg) | PVQ | Name: | (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione | Formula: | C9 H12 N4 O4 | SMILES: | N[CH](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O | InChi: | InChI=1S/C9H12N4O4/c10-5(8(15)16)3-13-6-2-11-1-4(6)7(14)12-9(13)17/h5,11H,1-3,10H2,(H,15,16)(H,12,14,17)/t5-/m0/s1 | Synonyms: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid | Definition date: | 2020-04-28 | Last modified: | 2021-03-13 | Release date: | 2020-06-03 | Identifier: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid |
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![5H8 5H8](https://data.pdbj.org/pdbjplus/data/cc/svg/5H8.svg) | 5H8 | Name: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-3-methyl-L-valine | Formula: | C21 H34 N3 O7 P | SMILES: | c1ccc(COC(=O)NCP(=O)(O)NC(C(NC(C(=O)O)C(C)(C)C)=O)CC(C)C)cc1 | InChi: | InChI=1S/C21H34N3O7P/c1-14(2)11-16(18(25)23-17(19(26)27)21(3,4)5)24-32(29,30)13-22-20(28)31-12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t16-,17+/m0/s1 | Synonyms: | (6S,9S)-1-(benzyloxy)-9-(tert-butyl)-6-isobutyl-4-oxido-1,4,7-trioxo-2,5,8-triaza-4-phosphadecan-10-oate | Definition date: | 2015-09-25 | Last modified: | 2021-03-13 | Release date: | 2015-10-28 | Identifier: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-3-methyl-L-valine |
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![5H9 5H9](https://data.pdbj.org/pdbjplus/data/cc/svg/5H9.svg) | 5H9 | Name: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-4-methyl-L-leucine | Formula: | C22 H36 N3 O7 P | SMILES: | c1ccc(COC(=O)NCP(=O)(O)NC(C(NC(C(=O)O)CC(C)(C)C)=O)CC(C)C)cc1 | InChi: | InChI=1S/C22H36N3O7P/c1-15(2)11-17(19(26)24-18(20(27)28)12-22(3,4)5)25-33(30,31)14-23-21(29)32-13-16-9-7-6-8-10-16/h6-10,15,17-18H,11-14H2,1-5H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31)/t17-,18-/m0/s1 | Synonyms: | (6S,9S)-1-(benzyloxy)-6-isobutyl-9-neopentyl-4-oxido-1,4,7-trioxo-2,5,8-triaza-4-phosphadecan-10-oate | Definition date: | 2015-09-25 | Last modified: | 2021-03-13 | Release date: | 2015-10-28 | Identifier: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-4-methyl-L-leucine |
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![5IP 5IP](https://data.pdbj.org/pdbjplus/data/cc/svg/5IP.svg) | 5IP | Name: | (1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)] | Formula: | C6 H17 O21 P5 | SMILES: | O=P(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O | InChi: | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6+/m1/s1 | Synonyms: | D-MYO-INS(1,2,3,5,6)P5 | Definition date: | 2006-08-28 | Last modified: | 2021-03-13 | Identifier: | (1R,2R,3R,4R,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] |
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![Q4J Q4J](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4J.svg) | Q4J | Name: | Pralsetinib | Formula: | C27 H32 F N9 O2 | SMILES: | c1c(nnc1Nc2cc(C)nc(n2)C3CCC(CC3)(OC)C(=O)NC(C)c4ccc(nc4)n5cc(cn5)F)C | InChi: | InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19-,27-/m0/s1 | Synonyms: | BLU-667 | Definition date: | 2019-09-20 | Last modified: | 2021-03-13 | Release date: | 2020-11-11 | Identifier: | trans-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide |
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![Q55 Q55](https://data.pdbj.org/pdbjplus/data/cc/svg/Q55.svg) | Q55 | Name: | 4S/3694 | Formula: | C21 H20 N6 O2 | SMILES: | COc1ncccc1Nc2nccc(n2)c3cc(C#N)c4NC[C](C)(CO)c4c3 | InChi: | InChI=1S/C21H20N6O2/c1-21(12-28)11-25-18-14(10-22)8-13(9-15(18)21)16-5-7-24-20(26-16)27-17-4-3-6-23-19(17)29-2/h3-9,25,28H,11-12H2,1-2H3,(H,24,26,27)/t21-/m0/s1 | Synonyms: | (3~{S})-3-(hydroxymethyl)-5-[2-[(2-methoxypyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile | Definition date: | 2020-05-17 | Last modified: | 2021-03-13 | Release date: | 2020-07-08 | Identifier: | (3~{S})-3-(hydroxymethyl)-5-[2-[(2-methoxypyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile |
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![Q58 Q58](https://data.pdbj.org/pdbjplus/data/cc/svg/Q58.svg) | Q58 | Name: | DesF-3R/4076 | Formula: | C26 H30 N6 O4 | SMILES: | COc1cc(ccc1Nc2nccc(n2)c3cnc4NC[C](C)(CO)c4c3)C(=O)NC5CCOCC5 | InChi: | InChI=1S/C26H30N6O4/c1-26(15-33)14-29-23-19(26)11-17(13-28-23)20-5-8-27-25(31-20)32-21-4-3-16(12-22(21)35-2)24(34)30-18-6-9-36-10-7-18/h3-5,8,11-13,18,33H,6-7,9-10,14-15H2,1-2H3,(H,28,29)(H,30,34)(H,27,31,32)/t26-/m1/s1 | Synonyms: | 4-[[4-[(3~{R})-3-(hydroxymethyl)-3-methyl-1,2-dihydropyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]amino]-3-methoxy-~{N}-(oxan-4-yl)benzamide | Definition date: | 2020-05-17 | Last modified: | 2021-03-13 | Release date: | 2020-07-08 | Identifier: | 4-[[4-[(3~{R})-3-(hydroxymethyl)-3-methyl-1,2-dihydropyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]amino]-3-methoxy-~{N}-(oxan-4-yl)benzamide |
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![Q5N Q5N](https://data.pdbj.org/pdbjplus/data/cc/svg/Q5N.svg) | Q5N | Name: | BCV-L6 | Formula: | C41 H47 F N10 O12 | SMILES: | CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)OCn4cc(CNC(=O)[CH](CCCCNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)nn4)c(F)c2 | InChi: | InChI=1S/C41H47FN10O12/c1-24(53)44-20-27-22-52(41(62)64-27)26-11-12-32(30(42)18-26)49-14-16-50(17-15-49)40(61)63-23-51-21-25(47-48-51)19-45-39(60)31(46-38(59)29-7-5-10-34(55)36(29)57)8-2-3-13-43-37(58)28-6-4-9-33(54)35(28)56/h4-7,9-12,18,21,27,31,54-57H,2-3,8,13-17,19-20,22-23H2,1H3,(H,43,58)(H,44,53)(H,45,60)(H,46,59)/t27?,31-/m0/s1 | Synonyms: | [4-[[[(2~{S})-2,6-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{R})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate | Definition date: | 2020-05-18 | Last modified: | 2021-03-13 | Release date: | 2021-01-20 | Identifier: | [4-[[[(2~{S})-2,6-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{R})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate |
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![Q6G Q6G](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6G.svg) | Q6G | Name: | Selpercatinib | Formula: | C29 H31 N7 O3 | SMILES: | CC(COc2cn1ncc(C#N)c1c(c2)c3cnc(cc3)N4CC5CC(C4)N5Cc6ccc(nc6)OC)(C)O | InChi: | InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3/t22-,23+ | Synonyms: | 6-(2-hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile | Definition date: | 2019-09-24 | Last modified: | 2021-03-13 | Release date: | 2020-11-11 | Identifier: | 6-(2-hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile |
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![Q6J Q6J](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6J.svg) | Q6J | Name: | 5alpha-dihydronandrolone | Formula: | C18 H28 O2 | SMILES: | C2(=O)CC1CCC3C(C1CC2)CCC4(C3CCC4O)C | InChi: | InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13-,14+,15+,16-,17-,18-/m0/s1 | Synonyms: | (5beta,9beta,10alpha,13alpha,14beta,17beta)-17-hydroxyestran-3-one | Definition date: | 2019-09-25 | Last modified: | 2021-03-13 | Release date: | 2020-05-20 | Identifier: | (5beta,9beta,10alpha,13alpha,14beta,17beta)-17-hydroxyestran-3-one |
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