Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50019029 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50185
(2-hydroxy-4-({4-[5-(2-methyl-3-phenyl-2-propen-1-y...)Show SMILES C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13- | PDB
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| | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50575549
(CHEMBL3306990)Show SMILES Cc1c2[nH]c(cc(=O)c2cc2c1[nH]c(cc2=O)C(O)=O)C(O)=O | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM38549
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29) | PDB
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| | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM38549
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29) | PDB
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| | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM38549
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29) | PDB
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| | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50323317
(CHEMBL4175848)Show InChI InChI=1S/C15H12BrN5O2/c1-23-11-5-2-9(3-6-11)15(22)17-13-8-10(16)4-7-12(13)14-18-20-21-19-14/h2-8H,1H3,(H,17,22)(H,18,19,20,21) | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM38549
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29) | PDB
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| | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM38549
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29) | PDB
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| | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50575522
(CHEMBL4878979)Show SMILES COc1ccccc1-c1cc2cc(C(O)=O)c(=O)oc2c2cc(C(O)=O)c(=O)oc12 | PDB
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G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50259839
(CHEMBL4100677)Show SMILES Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+]([O-])=O Show InChI InChI=1S/C10H4BrN5O5/c11-5-2-3-1-4(9-12-14-15-13-9)10(18)21-8(3)6(7(5)17)16(19)20/h1-2,17H,(H,12,13,14,15) | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614743
(CHEMBL1708510 | CID 27456)Show SMILES COC(=O)c1cnn(c1\C=N\NC(=S)NC(C)(C)C)-c1ccc(F)cc1F | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50575553
(CHEBI:18315 | PYRROLOQUINOLINE QUINONE)Show SMILES OC(=O)c1cc2c([nH]1)-c1c(cc(nc1C(=O)C2=O)C(O)=O)C(O)=O | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50259843
(CHEMBL4081238)Show InChI InChI=1S/C10H4Br2O5/c11-5-2-3-1-4(9(14)15)10(16)17-8(3)6(12)7(5)13/h1-2,13H,(H,14,15) | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50612246
(M&B 22948 | NSC-757885 | ZAPRINAST | Zaprinast) | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50440033
(CROMOLYN | Crolom | Cromoglicic Acid)Show SMILES OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O Show InChI InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30) | PDB
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| | 2.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614741
(CHEMBL5285029)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614742
(CHEMBL5288015)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCOCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614740
(CHEMBL5281778)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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| | n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614739
(CHEMBL5289040)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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| | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50185
(2-hydroxy-4-({4-[5-(2-methyl-3-phenyl-2-propen-1-y...)Show SMILES C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13- | PDB
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| | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614743
(CHEMBL1708510 | CID 27456)Show SMILES COC(=O)c1cnn(c1\C=N\NC(=S)NC(C)(C)C)-c1ccc(F)cc1F | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614741
(CHEMBL5285029)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614740
(CHEMBL5281778)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614742
(CHEMBL5288015)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCOCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614739
(CHEMBL5289040)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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| | n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50612246
(M&B 22948 | NSC-757885 | ZAPRINAST | Zaprinast) | PDB
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| | n/a | n/a | n/a | n/a | 0.710 | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614742
(CHEMBL5288015)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCOCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50259839
(CHEMBL4100677)Show SMILES Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+]([O-])=O Show InChI InChI=1S/C10H4BrN5O5/c11-5-2-3-1-4(9-12-14-15-13-9)10(18)21-8(3)6(7(5)17)16(19)20/h1-2,17H,(H,12,13,14,15) | PDB
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| | n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50440033
(CROMOLYN | Crolom | Cromoglicic Acid)Show SMILES OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O Show InChI InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30) | PDB
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Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM38549
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29) | PDB
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G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614740
(CHEMBL5281778)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM38549
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29) | PDB
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G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614741
(CHEMBL5285029)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614740
(CHEMBL5281778)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614739
(CHEMBL5289040)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614742
(CHEMBL5288015)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCOCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614741
(CHEMBL5285029)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50614739
(CHEMBL5289040)Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7| | PDB
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G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM50440033
(CROMOLYN | Crolom | Cromoglicic Acid)Show SMILES OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O Show InChI InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30) | PDB
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