On Target RT_HIV1 0.22556391/CHEMBL4227382
For the given ligand JJJ002, we have found in our database that, being scored 0.22556391, the most similar ligand is CHEMBL4227382. Check out the elaboration below.
| JJJ002 (Given Ligand) | CHEMBL4227382 (Similar Ligand) |
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| O=C(Nc1ccccc1)N(Cc2ccccc2)c3ccccc3 | C=C(C)[C@@H]1CC[C@]2(CNCCCN(C)c3ccccc3)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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| 00004006 00800000 00000100 00010e40 00000000 00000000 00000004 02003001 00000000 00000840 01280004 4000c000 00008800 00100000 00000040 00000000 00044000 02400000 08000000 00000000 c0100100 08018400 20032000 00400008 00100000 80000000 00000000 80000080 00008100 00060001 00040000 80004200 | 00004002 01000c00 00100302 40050600 20000000 00004000 80000080 20000402 00000900 001809e0 08300004 40018800 00028002 00200000 00020442 00080008 00040400 02000020 0a012000 00000201 61100100 18020a30 20008020 00500014 01200000 80000000 00406000 d0000080 00408002 01060012 e4020000 00002600 |