On Target RT_HIV1 0.25777778/CHEMBL4227326
For the given ligand Doravirine, we have found in our database that, being scored 0.25777778, the most similar ligand is CHEMBL4227326. Check out the elaboration below.
| Doravirine (Given Ligand) | CHEMBL4227326 (Similar Ligand) |
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| Cn3c(Cn2ccc(C(F)(F)F)c(Oc1cc(Cl)cc(C#N)c1)c2=O)n[nH]c3=O | C=C(C)[C@@H]1CC[C@]2(CNCCc3ccccn3)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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| 00008002 40020c08 60104108 00010601 81041038 00000044 968c0c00 00200401 06008104 408008f0 04010124 44858800 82008806 0a600002 81120001 010e200c 00408400 02808020 20e82100 00260200 50400000 18018110 e1800c80 0272a080 00006440 c0004400 00600020 d02a0010 00008384 00060600 80620480 00021220 | 0400000a 01000800 00104322 50050600 00040020 00004000 80000080 20000402 00000980 00180ac0 08308004 40818800 00028802 00200000 01020402 020c000c 00000400 0a000020 02212000 00000201 41000100 18228a30 20808020 81500014 01201000 80000000 00406040 d0000000 04400006 01060002 e4020000 20002600 |