![QBT QBT](https://data.pdbj.org/pdbjplus/data/cc/svg/QBT.svg) | QBT | Name: | [(2R,3S,5R)-3-HYDROXY-5-[(5S)-5-METHYL-2,4-DIOXO-1,3-DIAZINAN-1-YL]OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | Formula: | C10 H17 N2 O8 P | SMILES: | C[CH]1CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O | InChi: | InChI=1S/C10H17N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6-,7+,8+/m0/s1 | Definition date: | 2010-12-08 | Last modified: | 2022-06-13 | Identifier: | [(2R,3S,5R)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate |
|
![8RJ 8RJ](https://data.pdbj.org/pdbjplus/data/cc/svg/8RJ.svg) | 8RJ | Name: | (R)-1'-(2',3'-DIHYDROXYPROPYL)-THYMINE | Formula: | C8 H13 N2 O7 P | SMILES: | P(OCC(CN1C(NC(=O)C(C)=C1)=O)O)(O)(O)=O | InChi: | InChI=1S/C8H13N2O7P/c1-5-2-10(8(13)9-7(5)12)3-6(11)4-17-18(14,15)16/h2,6,11H,3-4H2,1H3,(H,9,12,13)(H2,14,15,16)/t6-/m1/s1 | Definition date: | 2017-03-03 | Last modified: | 2022-06-13 | Release date: | 2017-06-21 | Identifier: | (2R)-2-hydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propyl dihydrogen phosphate |
|
![92F 92F](https://data.pdbj.org/pdbjplus/data/cc/svg/92F.svg) | 92F | Name: | 7-amino-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile | Formula: | C13 H14 N5 O7 P | SMILES: | P(=O)(O)(O)OCC1OC(CC1O)N2C=C3C(=NC2=O)N=C(C(=C3)C#N)N | InChi: | InChI=1S/C13H14N5O7P/c14-3-6-1-7-4-18(13(20)17-12(7)16-11(6)15)10-2-8(19)9(25-10)5-24-26(21,22)23/h1,4,8-10,19H,2,5H2,(H2,21,22,23)(H2,15,16,17,20)/t8-,9+,10+/m0/s1 | Definition date: | 2017-12-01 | Last modified: | 2022-06-13 | Release date: | 2018-11-21 | Identifier: | 7-amino-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile |
|
![RKX RKX](https://data.pdbj.org/pdbjplus/data/cc/svg/RKX.svg) | RKX | Name: | 4-methoxybenzenecarboximidamide | Formula: | C8 H10 N2 O | SMILES: | COc1ccc(cc1)C(N)=N | InChi: | InChI=1S/C8H10N2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10) | Definition date: | 2021-12-21 | Last modified: | 2022-06-10 | Release date: | 2022-06-15 | Identifier: | 4-methoxybenzenecarboximidamide |
|
![ZM2 ZM2](https://data.pdbj.org/pdbjplus/data/cc/svg/ZM2.svg) | ZM2 | Name: | (1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate | Formula: | C6 H18 O24 P6 | SMILES: | O=P(O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)OP(=O)(O)O | InChi: | InChI=1S/C6H18O24P6/c7-1-2(25-31(8,9)10)4(27-33(14,15)16)6(29-36(23,24)30-35(20,21)22)5(28-34(17,18)19)3(1)26-32(11,12)13/h1-7H,(H,23,24)(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-/m0/s1 | Definition date: | 2022-01-21 | Last modified: | 2022-06-10 | Release date: | 2022-06-15 | Identifier: | (1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
|
![XQS XQS](https://data.pdbj.org/pdbjplus/data/cc/svg/XQS.svg) | XQS | Name: | sibrafiban (active form) | Formula: | C18 H24 N4 O5 | SMILES: | C1(OCC(O)=O)CCN(CC1)C(=O)C(NC(c2ccc(/C(N)=N)cc2)=O)C | InChi: | InChI=1S/C18H24N4O5/c1-11(21-17(25)13-4-2-12(3-5-13)16(19)20)18(26)22-8-6-14(7-9-22)27-10-15(23)24/h2-5,11,14H,6-10H2,1H3,(H3,19,20)(H,21,25)(H,23,24)/t11-/m0/s1 | Synonyms: | ({1-[N-(4-carbamimidoylbenzene-1-carbonyl)-L-alanyl]piperidin-4-yl}oxy)acetic acid | Definition date: | 2021-01-04 | Last modified: | 2022-06-10 | Release date: | 2022-06-15 | Identifier: | ({1-[N-(4-carbamimidoylbenzene-1-carbonyl)-L-alanyl]piperidin-4-yl}oxy)acetic acid |
|
![WW6 WW6](https://data.pdbj.org/pdbjplus/data/cc/svg/WW6.svg) | WW6 | Name: | N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide | Formula: | C15 H19 Cl N2 O2 S | SMILES: | NCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl | InChi: | InChI=1S/C15H19ClN2O2S/c16-14-8-4-7-13-12(14)6-5-9-15(13)21(19,20)18-11-3-1-2-10-17/h4-9,18H,1-3,10-11,17H2 | Definition date: | 2022-03-28 | Last modified: | 2022-06-10 | Release date: | 2022-06-15 | Identifier: | N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide |
|
![WW9 WW9](https://data.pdbj.org/pdbjplus/data/cc/svg/WW9.svg) | WW9 | Name: | N-(7-aminoheptyl)-5-chloronaphthalene-1-sulfonamide | Formula: | C17 H23 Cl N2 O2 S | SMILES: | NCCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl | InChi: | InChI=1S/C17H23ClN2O2S/c18-16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)20-13-5-3-1-2-4-12-19/h6-11,20H,1-5,12-13,19H2 | Definition date: | 2022-03-28 | Last modified: | 2022-06-10 | Release date: | 2022-06-15 | Identifier: | N-(7-aminoheptyl)-5-chloronaphthalene-1-sulfonamide |
|
![7IC 7IC](https://data.pdbj.org/pdbjplus/data/cc/svg/7IC.svg) | 7IC | Name: | 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole | Formula: | C21 H18 N2 O2 S | SMILES: | Cc1ccc2c([nH]c(c3ccccc3)c2[CH](C[N+]([O-])=O)c4sccc4)c1 | InChi: | InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3/t17-/m0/s1 | Definition date: | 2021-10-05 | Last modified: | 2022-06-10 | Release date: | 2022-06-15 | Identifier: | 6-methyl-3-[(1~{S})-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1~{H}-indole |
|
![7IR 7IR](https://data.pdbj.org/pdbjplus/data/cc/svg/7IR.svg) | 7IR | Name: | (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione | Formula: | C36 H39 N7 O6 | SMILES: | CN1CCOCCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5cc(cnc5C4)C(=O)N[CH](Cc6cc(C)c7[nH]ncc7c6)C1=O)c3c2 | InChi: | InChI=1S/C36H39N7O6/c1-22-12-24(13-26-21-39-42-31(22)26)15-29-34(45)43(2)5-7-48-9-11-49-10-8-47-6-3-4-23-14-28-32(38-19-23)41-35(46)36(28)17-25-16-27(33(44)40-29)20-37-30(25)18-36/h3-4,12-14,16,19-21,29H,5-11,15,17-18H2,1-2H3,(H,39,42)(H,40,44)(H,38,41,46)/b4-3+/t29-,36+/m1/s1 | Definition date: | 2021-08-09 | Last modified: | 2022-06-10 | Release date: | 2022-06-15 |
|
![7IU 7IU](https://data.pdbj.org/pdbjplus/data/cc/svg/7IU.svg) | 7IU | Name: | (1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione | Formula: | C34 H33 N5 O6 | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5cc(cnc5C4)C(=O)N[CH](Cc6coc7ccccc67)C1=O)c3c2 | InChi: | InChI=1S/C34H33N5O6/c1-39-8-10-44-12-11-43-9-4-5-21-13-26-30(36-18-21)38-33(42)34(26)16-22-14-23(19-35-28(22)17-34)31(40)37-27(32(39)41)15-24-20-45-29-7-3-2-6-25(24)29/h2-7,13-14,18-20,27H,8-12,15-17H2,1H3,(H,37,40)(H,36,38,42)/b5-4+/t27-,34+/m1/s1 | Definition date: | 2021-08-09 | Last modified: | 2022-06-10 | Release date: | 2022-06-15 |
|
![G7R G7R](https://data.pdbj.org/pdbjplus/data/cc/svg/G7R.svg) | G7R | Name: | 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine | Formula: | C31 H36 N4 O6 | SMILES: | COc1ccc(cc1OC)CCNc1nc2cc(OC)c(OC)cc2c(n1)N1Cc2cc(OC)c(cc2CC1)OC | InChi: | InChI=1S/C31H36N4O6/c1-36-24-8-7-19(13-25(24)37-2)9-11-32-31-33-23-17-29(41-6)28(40-5)16-22(23)30(34-31)35-12-10-20-14-26(38-3)27(39-4)15-21(20)18-35/h7-8,13-17H,9-12,18H2,1-6H3,(H,32,33,34) | Definition date: | 2021-12-17 | Last modified: | 2022-06-10 | Release date: | 2022-06-15 | Identifier: | 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine |
|
![E3W E3W](https://data.pdbj.org/pdbjplus/data/cc/svg/E3W.svg) | E3W | Name: | 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid | Formula: | C29 H25 N7 O6 S | SMILES: | O=C(Nc1ccc(cc1)c1ccc(OCc2ccccc2)c(c1)C(=O)O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N | InChi: | InChI=1S/C29H25N7O6S/c30-27-34-28(32-21-11-13-23(14-12-21)43(31,40)41)35-36(27)29(39)33-22-9-6-19(7-10-22)20-8-15-25(24(16-20)26(37)38)42-17-18-4-2-1-3-5-18/h1-16H,17H2,(H,33,39)(H,37,38)(H2,31,40,41)(H3,30,32,34,35) | Definition date: | 2021-12-01 | Last modified: | 2022-06-10 | Release date: | 2022-06-15 | Identifier: | 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid |
|
![7S3 7S3](https://data.pdbj.org/pdbjplus/data/cc/svg/7S3.svg) | 7S3 | Name: | [(2R,3S,4R,5R)-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C11 H15 N4 O8 P | SMILES: | CN1C=Nc2n(cnc2C1=O)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C11H15N4O8P/c1-14-3-13-9-6(10(14)18)12-4-15(9)11-8(17)7(16)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,16-17H,2H2,1H3,(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | Synonyms: | 1-methyl inosinic acid | Definition date: | 2021-10-15 | Last modified: | 2022-06-08 | Release date: | 2022-05-04 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
|
![5FD 5FD](https://data.pdbj.org/pdbjplus/data/cc/svg/5FD.svg) | 5FD | Name: | 5'-FLUORO-5'-DEOXYADENOSINE | Formula: | C10 H12 F N5 O3 | SMILES: | Nc1ncnc2c1ncn2C1OC(CF)C(O)C1O | InChi: | InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2003-12-16 | Last modified: | 2022-06-06 | Identifier: | 5'-deoxy-5'-fluoroadenosine |
|
![TGI TGI](https://data.pdbj.org/pdbjplus/data/cc/svg/TGI.svg) | TGI | Name: | Tiagabine | Formula: | C20 H25 N O2 S2 | SMILES: | Cc1ccsc1C(=CCCN1CCCC(C1)C(=O)O)c1sccc1C | InChi: | InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1 | Synonyms: | (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid | Definition date: | 2021-10-20 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid |
|
![SOK SOK](https://data.pdbj.org/pdbjplus/data/cc/svg/SOK.svg) | SOK | Name: | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one | Formula: | C16 H15 Cl N2 O | SMILES: | Cc1[nH]c(c2CC=CCC(=O)c12)c3cc(N)ccc3Cl | InChi: | InChI=1S/C16H15ClN2O/c1-9-15-11(4-2-3-5-14(15)20)16(19-9)12-8-10(18)6-7-13(12)17/h2-3,6-8,19H,4-5,18H2,1H3 | Definition date: | 2020-11-25 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one |
|
![SJH SJH](https://data.pdbj.org/pdbjplus/data/cc/svg/SJH.svg) | SJH | Name: | (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate | Formula: | C56 H93 N5 O22 | SMILES: | CON=C1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(OC(=O)NCCn3c(C)ncc3[N+]([O-])=O)C(=O)[CH](C)[CH](OC(=O)CC(C)C)[CH](C)[CH](OC(=O)[CH](C)[CH](O[CH]4C[C](C)(O)[CH](O)[CH](C)O4)[CH]2C)[CH](C)CO[CH]5O[CH](C)[CH](O)[CH](OC)[CH]5OC)[CH]1O | InChi: | InChI=1S/C56H93N5O22/c1-26(2)20-39(62)79-45-31(7)44(28(4)25-75-53-48(73-16)47(72-15)41(63)34(10)78-53)81-51(67)33(9)46(80-40-23-55(13,69)50(66)35(11)77-40)30(6)43(82-52-42(64)37(59-74-17)21-29(5)76-52)27(3)22-56(14,49(65)32(45)8)83-54(68)57-18-19-60-36(12)58-24-38(60)61(70)71/h24,26-35,40-48,50,52-53,63-64,66,69H,18-23,25H2,1-17H3,(H,57,68)/b59-37+/t27-,28-,29+,30+,31-,32+,33+,34+,35-,40-,41+,42+,43-,44+,45+,46-,47+,48+,50-,52-,53+,55+,56-/m0/s1 | Synonyms: | [(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{E},6~{R})-4-methoxyimino-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate | Definition date: | 2020-11-17 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | [(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{E},6~{R})-4-methoxyimino-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate |
|
![QY2 QY2](https://data.pdbj.org/pdbjplus/data/cc/svg/QY2.svg) | QY2 | Name: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one | Formula: | C14 H13 N3 O2 S | SMILES: | CON=C1NC(=O)C(=[SH]1)Cc2ccc3ncccc3c2 | InChi: | InChI=1S/C14H13N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-7,20H,8H2,1H3,(H,16,17,18) | Definition date: | 2020-08-20 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one |
|
![5YZ 5YZ](https://data.pdbj.org/pdbjplus/data/cc/svg/5YZ.svg) | 5YZ | Name: | 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide | Formula: | C26 H30 N8 O2 | SMILES: | Cc1cc(CN2CCN(CC2)c3nc(Nc4cc([nH]n4)C5CC5)cc(n3)C(=O)NCC#C)ccc1O | InChi: | InChI=1S/C26H30N8O2/c1-3-8-27-25(36)21-15-23(29-24-14-20(31-32-24)19-5-6-19)30-26(28-21)34-11-9-33(10-12-34)16-18-4-7-22(35)17(2)13-18/h1,4,7,13-15,19,35H,5-6,8-12,16H2,2H3,(H,27,36)(H2,28,29,30,31,32) | Definition date: | 2021-08-31 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide |
|
![O7T O7T](https://data.pdbj.org/pdbjplus/data/cc/svg/O7T.svg) | O7T | Name: | deltarasin | Formula: | C40 H37 N5 O | SMILES: | C1CC(CCN1)[CH](COc2ccc(cc2)c3nc4ccccc4n3Cc5ccccc5)n6c7ccccc7nc6c8ccccc8 | InChi: | InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1 | Synonyms: | 2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole | Definition date: | 2020-02-18 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole |
|
![O7W O7W](https://data.pdbj.org/pdbjplus/data/cc/svg/O7W.svg) | O7W | Name: | ~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide | Formula: | C25 H28 N4 O2 | SMILES: | CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4ccccc34)nn2)cc1 | InChi: | InChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3 | Definition date: | 2020-02-18 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | ~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide |
|
![82L 82L](https://data.pdbj.org/pdbjplus/data/cc/svg/82L.svg) | 82L | Name: | 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid | Formula: | C32 H32 F2 N6 O3 | SMILES: | Fc1ccc(COc2cccc(n2)C2CCN(Cc3nc4ccc(cc4n3Cc3cncn3CC)C(=O)O)CC2)c(F)c1 | InChi: | InChI=1S/C32H32F2N6O3/c1-2-39-20-35-16-25(39)17-40-29-14-22(32(41)42)7-9-28(29)36-30(40)18-38-12-10-21(11-13-38)27-4-3-5-31(37-27)43-19-23-6-8-24(33)15-26(23)34/h3-9,14-16,20-21H,2,10-13,17-19H2,1H3,(H,41,42) | Definition date: | 2021-09-03 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid |
|
![OUO OUO](https://data.pdbj.org/pdbjplus/data/cc/svg/OUO.svg) | OUO | Name: | (2R)-2-(hydroxymethyl)pentanedioic acid | Formula: | C6 H10 O5 | SMILES: | OC(=O)C(CCC(O)=O)CO | InChi: | InChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1 | Definition date: | 2022-05-16 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (2R)-2-(hydroxymethyl)pentanedioic acid |
|
![7IT 7IT](https://data.pdbj.org/pdbjplus/data/cc/svg/7IT.svg) | 7IT | Name: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | Formula: | C25 H32 Cl F N6 O4 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2C(CCC(O)CO)C1CNC(=N)N)CNC | InChi: | InChI=1S/C25H32ClFN6O4/c1-30-10-13-2-5-17-18(8-13)16(6-4-15(35)12-34)19(11-31-25(28)29)22(17)33-24(37)23(36)32-14-3-7-20(26)21(27)9-14/h2-3,5,7-9,15-16,19,22,30,34-35H,4,6,10-12H2,1H3,(H,32,36)(H,33,37)(H4,28,29,31)/t15-,16+,19-,22-/m0/s1 | Definition date: | 2021-08-12 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide |
|