On Target IKKB_HUMAN 0.37623763/CHEMBL1807619
For the given ligand Dolutegravir, we have found in our database that, being scored 0.37623763, the most similar ligand is CHEMBL1807619. Check out the elaboration below.
| Dolutegravir (Given Ligand) | CHEMBL1807619 (Similar Ligand) |
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| C[C@@H]3CCO[C@H]4Cn2cc(C(=O)NCc1ccc(F)cc1F)c(=O)c(O)c2C(=O)N34 | F[C@H]1CN[C@H](CNC(=O)c2ccc(cc2F)c3cnc4ccc(NC5CCCC5)nn34)C1 |
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| 10000082 44c0fc08 60104100 d2010f90 0404102a 08128154 1c024000 82203401 02200301 805308d0 01290004 c0018000 80009806 08581100 00021c80 221e710c 02226200 82004106 00e00800 00160201 c0000021 383f8e10 23802081 6654013c 18152401 c0001082 08e00260 90240011 08440304 45068051 e40c0000 c0004200 | 0000c083 01803809 e0101100 5e010610 21081060 0400209e 04c00000 22081a08 04000100 900128c0 00208004 70018800 82018842 00503000 00070400 820c640c 0a268200 0280200c 0c200000 50660605 40100020 3c068620 21802803 6270c01c 00160401 c0080000 38106260 900008e1 0801410c 0546a401 e0040f00 10204600 |