![QDA QDA](https://data.pdbj.org/pdbjplus/data/cc/svg/QDA.svg) | QDA | Name: | N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine | Formula: | C15 H23 N5 O2 S | SMILES: | c2([N+]([O-])=O)c(NC1CCCC1)nc(nc2NC3CCCC3)SC | InChi: | InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19) | Definition date: | 2019-10-16 | Last modified: | 2020-06-05 | Release date: | 2020-06-10 | Identifier: | N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine |
|
![RNM RNM](https://data.pdbj.org/pdbjplus/data/cc/svg/RNM.svg) | RNM | Name: | (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine | Formula: | C18 H26 N4 S2 | SMILES: | Nc2nc(SCC1CCCN(C)C1)nc4c2c3CCC(Cc3s4)C | InChi: | InChI=1S/C18H26N4S2/c1-11-5-6-13-14(8-11)24-17-15(13)16(19)20-18(21-17)23-10-12-4-3-7-22(2)9-12/h11-12H,3-10H2,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1 | Definition date: | 2020-02-17 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine |
|
![RA7 RA7](https://data.pdbj.org/pdbjplus/data/cc/svg/RA7.svg) | RA7 | Name: | [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol | Formula: | C8 H12 N2 O2 S | SMILES: | C1CN(CCO1)c2sc(CO)cn2 | InChi: | InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2 | Definition date: | 2020-02-10 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol |
|
![U64 U64](https://data.pdbj.org/pdbjplus/data/cc/svg/U64.svg) | U64 | Name: | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile | Formula: | C25 H23 F2 N5 O2 S | SMILES: | c4(cc(C1(C)C2C(SC(=N1)N)(C2)C(=O)N3CCOCC3)c(F)cc4)[C@H]=C(F)c5ccc(cn5)C#N | InChi: | InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1 | Definition date: | 2020-04-27 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile |
|
![SNL SNL](https://data.pdbj.org/pdbjplus/data/cc/svg/SNL.svg) | SNL | Name: | SPIRONOLACTONE | Formula: | C24 H32 O4 S | SMILES: | O=C5OC4(C3(C(C2C(SC(=O)C)CC1=CC(=O)CCC1(C)C2CC3)CC4)C)CC5 | InChi: | InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 | Synonyms: | 17-HYDROXY-7ALPHA-MERCAPTO-3-OXO-17ALPHA-PREGN-4-ENE-21- CARBOXYLIC ACID | Definition date: | 2005-07-18 | Last modified: | 2020-05-27 | Identifier: | S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate |
|
![FDT FDT](https://data.pdbj.org/pdbjplus/data/cc/svg/FDT.svg) | FDT | Name: | (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID | Formula: | C10 H10 N4 O3 S | SMILES: | O=C(O)C=1NC=C(C=O)C(SC=1)c2nnn(c2)C | InChi: | InChI=1S/C10H10N4O3S/c1-14-3-7(12-13-14)9-6(4-15)2-11-8(5-18-9)10(16)17/h2-5,9,11H,1H3,(H,16,17)/t9-/m0/s1 | Synonyms: | 7-(1-METHYL-1,2,3-TRIAZOL-4-YL)-6-FORMYL-2,7-DIHYDRO-[1,4]THIAZEPINE-3-CARBOXYLIC ACID | Definition date: | 2004-12-09 | Last modified: | 2020-05-27 | Identifier: | (7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid |
|
![HKS HKS](https://data.pdbj.org/pdbjplus/data/cc/svg/HKS.svg) | HKS | Name: | 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine | Formula: | C12 H16 N2 O6 S | SMILES: | C(O)(C(N)Cc1cc(SCC(N)C(O)=O)c(c(c1)O)O)=O | InChi: | InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m0/s1 | Synonyms: | 5-cysteinyl-3,4-dihydroxyphenylalanine | Definition date: | 2018-07-10 | Last modified: | 2020-05-27 | Release date: | 2019-05-22 | Identifier: | 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine |
|
![NCG NCG](https://data.pdbj.org/pdbjplus/data/cc/svg/NCG.svg) | NCG | Name: | [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE | Formula: | C45 H52 N4 O18 S | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC7c3cc1c(C=CC1(O)C2OC(=O)OC2)cc3C(OC4OC(C(O)C(O)C4NC)C)C7OC(=O)c6c5cc(OC)cc(c5ccc6O)C | InChi: | InChI=1S/C45H52N4O18S/c1-18-11-21(62-4)13-23-22(18)5-7-29(50)33(23)42(59)66-38-37(67-43-34(47-3)36(55)35(54)19(2)64-43)24-12-20-9-10-45(61,30-16-63-44(60)65-30)26(20)14-25(24)39(38)68-17-28(40(56)48-15-32(52)53)49-31(51)8-6-27(46)41(57)58/h5,7,9-14,19,27-28,30,34-39,43,47,50,54-55,61H,6,8,15-17,46H2,1-4H3,(H,48,56)(H,49,51)(H,52,53)(H,57,58)/t19-,27-,28+,30-,34-,35+,36-,37-,38+,39+,43-,45-/m1/s1 | Synonyms: | NCSI-GLU | Definition date: | 2002-09-26 | Last modified: | 2020-05-27 | Identifier: | D-gamma-glutamyl-S-{(1S,2S,3R,7R)-3-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-7-hydroxy-2-{[(2-hydroxy-7-methoxy-5-methylnaphthalen-1-yl)carbonyl]oxy}-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-1,2,3,7-tetrahydro-s-indacen-1-yl}-L-cysteinylglycine |
|
![89F 89F](https://data.pdbj.org/pdbjplus/data/cc/svg/89F.svg) | 89F | Name: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine | Formula: | C20 H24 N2 S2 | SMILES: | CSc1ccc2Sc3ccccc3C[CH](N4CCN(C)CC4)c2c1 | InChi: | InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1 | Synonyms: | Methiothepin | Definition date: | 2017-05-19 | Last modified: | 2020-05-26 | Release date: | 2018-02-07 | Identifier: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine |
|
![QQJ QQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QQJ.svg) | QQJ | Name: | N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | Formula: | C25 H24 F N5 O2 S | SMILES: | c1(ccc(cc1)c4c(c3cc(Nc2c(ccc(c2)NC(=O)CC)OC)ncc3)nc(n4)SC)F | InChi: | InChI=1S/C25H24FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h5-14H,4H2,1-3H3,(H,27,29)(H,28,32)(H,30,31) | Definition date: | 2019-12-09 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide |
|
![S5G S5G](https://data.pdbj.org/pdbjplus/data/cc/svg/S5G.svg) | S5G | Name: | (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione | Formula: | C6 H12 N2 O S2 | SMILES: | CN1C(=S)S[CH](NO)C1(C)C | InChi: | InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1 | Definition date: | 2020-03-04 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione |
|
![MVQ MVQ](https://data.pdbj.org/pdbjplus/data/cc/svg/MVQ.svg) | MVQ | Name: | (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide | Formula: | C23 H27 N5 O3 S | SMILES: | CN1C(=O)c2nc(sc2N=C1C3CCOCC3)N4CCC[CH]4C(=O)NCc5ccccc5 | InChi: | InChI=1S/C23H27N5O3S/c1-27-19(16-9-12-31-13-10-16)26-21-18(22(27)30)25-23(32-21)28-11-5-8-17(28)20(29)24-14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,24,29)/t17-/m1/s1 | Definition date: | 2019-10-25 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide |
|
![OQJ OQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/OQJ.svg) | OQJ | Name: | N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide | Formula: | C22 H17 Cl N4 O3 S | SMILES: | c1cc(c(cc1Cl)NC(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC | InChi: | InChI=1S/C22H17ClN4O3S/c1-30-18-10-7-14(23)11-17(18)25-21(29)24-15-8-9-16-19(12-15)31-22(26-16)27-20(28)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25,29)(H,26,27,28) | Definition date: | 2019-07-02 | Last modified: | 2020-02-21 | Release date: | 2020-02-26 | Identifier: | N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide |
|
![JBZ JBZ](https://data.pdbj.org/pdbjplus/data/cc/svg/JBZ.svg) | JBZ | Name: | 6-methoxy-1,3-benzothiazole-2-carboxylic acid | Formula: | C9 H7 N O3 S | SMILES: | COc1ccc2nc(sc2c1)C(O)=O | InChi: | InChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12) | Definition date: | 2019-02-13 | Last modified: | 2020-02-21 | Release date: | 2020-02-26 | Identifier: | 6-methoxy-1,3-benzothiazole-2-carboxylic acid |
|
![J5N J5N](https://data.pdbj.org/pdbjplus/data/cc/svg/J5N.svg) | J5N | Name: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | Formula: | C29 H36 F N5 O4 S | SMILES: | CC(C)C[CH](NC(=O)c1ccc(cc1)c2nc(sc2F)N3CCN(C)CC3)C(=O)N4C[CH](C#C)[CH]5OC[CH](O)[CH]45 | InChi: | InChI=1S/C29H36FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21-22,24-25,36H,10-16H2,2-4H3,(H,31,37)/t18-,21+,22+,24-,25-/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2020-02-14 | Release date: | 2020-02-19 | Identifier: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide |
|
![J5T J5T](https://data.pdbj.org/pdbjplus/data/cc/svg/J5T.svg) | J5T | Name: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{S})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | Formula: | C27 H35 Cl F N5 O4 S | SMILES: | CC(C)C[CH](NC(=O)c1ccc(cc1)c2nc(sc2F)N3CCN(C)CC3)C(=O)N4C[CH](Cl)[CH]5OC[CH](O)[CH]45 | InChi: | InChI=1S/C27H35ClFN5O4S/c1-15(2)12-19(26(37)34-13-18(28)23-22(34)20(35)14-38-23)30-25(36)17-6-4-16(5-7-17)21-24(29)39-27(31-21)33-10-8-32(3)9-11-33/h4-7,15,18-20,22-23,35H,8-14H2,1-3H3,(H,30,36)/t18-,19+,20+,22-,23-/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2020-02-14 | Release date: | 2020-02-19 | Identifier: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{S})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide |
|
![DZJ DZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DZJ.svg) | DZJ | Name: | 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one | Formula: | C17 H11 Cl N2 O2 S | SMILES: | c1(ccc2c(c1)SC=4N2C(=O)C(Cc3ccccc3)=C(O)N=4)Cl | InChi: | InChI=1S/C17H11ClN2O2S/c18-11-6-7-13-14(9-11)23-17-19-15(21)12(16(22)20(13)17)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2 | Definition date: | 2017-11-17 | Last modified: | 2020-02-14 | Release date: | 2017-12-13 | Identifier: | 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
|
![STT STT](https://data.pdbj.org/pdbjplus/data/cc/svg/STT.svg) | STT | Name: | 2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid | Formula: | C27 H20 F N3 O5 S3 | SMILES: | O[S](=O)(=O)CCN1C(=S)SC(=Cc2cn(nc2c3ccc(Oc4ccccc4F)cc3)c5ccccc5)C1=O | InChi: | InChI=1S/C27H20FN3O5S3/c28-22-8-4-5-9-23(22)36-21-12-10-18(11-13-21)25-19(17-31(29-25)20-6-2-1-3-7-20)16-24-26(32)30(27(37)38-24)14-15-39(33,34)35/h1-13,16-17H,14-15H2,(H,33,34,35)/b24-16+ | Definition date: | 2008-11-17 | Last modified: | 2020-02-13 | Identifier: | 2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid |
|
![2WE 2WE](https://data.pdbj.org/pdbjplus/data/cc/svg/2WE.svg) | 2WE | Name: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide | Formula: | C14 H14 N4 O3 S | SMILES: | COc1nc(sc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2 | InChi: | InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20) | Definition date: | 2014-03-11 | Last modified: | 2020-02-13 | Release date: | 2015-04-08 | Identifier: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide |
|
![2PW 2PW](https://data.pdbj.org/pdbjplus/data/cc/svg/2PW.svg) | 2PW | Name: | (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | Formula: | C14 H15 N O2 S2 | SMILES: | CC[CH](C)N1C(=S)SC(=Cc2ccc(O)cc2)C1=O | InChi: | InChI=1S/C14H15NO2S2/c1-3-9(2)15-13(17)12(19-14(15)18)8-10-4-6-11(16)7-5-10/h4-9,16H,3H2,1-2H3/b12-8+/t9-/m1/s1 | Definition date: | 2013-12-24 | Last modified: | 2020-02-12 | Release date: | 2014-01-08 | Identifier: | (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
|
![2Q0 2Q0](https://data.pdbj.org/pdbjplus/data/cc/svg/2Q0.svg) | 2Q0 | Name: | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one | Formula: | C14 H15 N O2 S2 | SMILES: | CC(C)CN1C(=S)SC(=Cc2ccc(O)cc2)C1=O | InChi: | InChI=1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7- | Definition date: | 2013-12-29 | Last modified: | 2020-02-12 | Release date: | 2014-01-15 | Identifier: | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
|
![QDV QDV](https://data.pdbj.org/pdbjplus/data/cc/svg/QDV.svg) | QDV | Name: | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Formula: | C32 H38 N4 O3 S | SMILES: | C(C(NC(OC(C)(C)C)=O)Cc1cnc2ccccc12)SC(C(=O)NCCc3cccnc3)Cc4ccccc4 | InChi: | InChI=1S/C32H38N4O3S/c1-32(2,3)39-31(38)36-26(19-25-21-35-28-14-8-7-13-27(25)28)22-40-29(18-23-10-5-4-6-11-23)30(37)34-17-15-24-12-9-16-33-20-24/h4-14,16,20-21,26,29,35H,15,17-19,22H2,1-3H3,(H,34,37)(H,36,38)/t26-,29+/m0/s1 | Definition date: | 2019-10-17 | Last modified: | 2020-01-31 | Release date: | 2020-02-05 | Identifier: | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
|
![QDY QDY](https://data.pdbj.org/pdbjplus/data/cc/svg/QDY.svg) | QDY | Name: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Formula: | C34 H39 N3 O3 S | SMILES: | C(C(NC(OC(C)(C)C)=O)Cc2c1ccccc1ccc2)SC(C(NCCc3cccnc3)=O)Cc4ccccc4 | InChi: | InChI=1S/C34H39N3O3S/c1-34(2,3)40-33(39)37-29(22-28-16-9-15-27-14-7-8-17-30(27)28)24-41-31(21-25-11-5-4-6-12-25)32(38)36-20-18-26-13-10-19-35-23-26/h4-17,19,23,29,31H,18,20-22,24H2,1-3H3,(H,36,38)(H,37,39)/t29-,31+/m1/s1 | Definition date: | 2019-10-17 | Last modified: | 2020-01-31 | Release date: | 2020-02-05 | Identifier: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
|
![QEA QEA](https://data.pdbj.org/pdbjplus/data/cc/svg/QEA.svg) | QEA | Name: | tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Formula: | C32 H38 N4 O3 S | SMILES: | C(SC(C(=O)NCCc1cnccc1)Cc2ccccc2)C(Cc3cnc4c3cccc4)NC(=O)OC(C)(C)C | InChi: | InChI=1S/C32H38N4O3S/c1-32(2,3)39-31(38)36-26(19-25-21-35-28-14-8-7-13-27(25)28)22-40-29(18-23-10-5-4-6-11-23)30(37)34-17-15-24-12-9-16-33-20-24/h4-14,16,20-21,26,29,35H,15,17-19,22H2,1-3H3,(H,34,37)(H,36,38)/t26-,29+/m1/s1 | Definition date: | 2019-10-18 | Last modified: | 2020-01-31 | Release date: | 2020-02-05 | Identifier: | tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
|
![VIB VIB](https://data.pdbj.org/pdbjplus/data/cc/svg/VIB.svg) | VIB | Name: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM | Formula: | C12 H17 N4 O S | SMILES: | n1c(c(cnc1C)C[n+]2c(c(sc2)CCO)C)N | InChi: | InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 | Synonyms: | THIAMIN | Definition date: | 2001-04-17 | Last modified: | 2020-01-26 | Identifier: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium |
|