On Target RT_HIV1 0.29012346/CHEMBL3827839
For the given ligand Pyranojacareubin, we have found in our database that, being scored 0.29012346, the most similar ligand is CHEMBL3827839. Check out the elaboration below.
| Pyranojacareubin (Given Ligand) | CHEMBL3827839 (Similar Ligand) |
|---|---|
| CC5(C)/C=C\c4c(cc3[oH+]c2c(O)c1OC(C)(C)/C=C\c1cc2c(=O)c3c4O)O5 | C=C(C)[C@@H]1CC[C@]2(CNCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| 04000001 42000828 20000309 00218200 00201001 00020000 c2240080 01000600 04000004 00180840 48000000 40108a00 0680c002 00000000 01000003 2808a008 00000400 02008004 1000201c 00020a00 00440000 08020300 00008021 06420014 01001000 e8000000 00522808 40200400 00454380 80220102 87020400 00000410 | 00000000 01000800 00100302 44050600 00000000 00004000 80000080 20000402 00000900 001808c0 08300000 40018800 00028002 00202000 00000402 00080008 00000400 02000020 02012000 00000201 01000100 38020a30 00008021 02500014 01200000 80000000 00406000 d0000000 08400002 01060002 e4020000 00000600 |