On Target RT_HIV1 0.15602838/CHEMBL4225093
For the given ligand XIE5-1-23, we have found in our database that, being scored 0.15602838, the most similar ligand is CHEMBL4225093. Check out the elaboration below.
| XIE5-1-23 (Given Ligand) | CHEMBL4225093 (Similar Ligand) |
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| N=C(N)N/N=C/c3ccc(OCc1ccccc1)c(OCc2ccccc2)c3 | C=C(C)[C@@H]1CC[C@]2(CNCCN3CCNCC3)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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| 04000008 40000008 20000108 00210a00 00003000 00004000 02040000 81084000 00000100 00000843 00000000 40008000 80804002 00010080 01000001 02088008 00000000 02000000 00480400 00020200 00080000 08000020 40040002 08c01000 00000000 80002800 40020100 00000000 00000228 000e0208 40100800 00000000 | 00000000 01000800 00100302 44050600 00000000 00004000 80000080 20000402 00000900 001808c0 08300000 40018800 00028002 00202000 00000402 00080008 00000400 02000020 02012000 00000201 01000100 38020a30 00008023 02500014 01200000 80000000 00406000 d0000000 08400002 01060002 e4020000 00000600 |