On Target NK1R_HUMAN 0.43617022/CHEMBL340931
For the given ligand Dolutegravir, we have found in our database that, being scored 0.43617022, the most similar ligand is CHEMBL340931. Check out the elaboration below.
| Dolutegravir (Given Ligand) | CHEMBL340931 (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 | Cc1ccc(cc1)C2=C3N(CCN(Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F)C3=O)C(=O)c5ncccc25 |
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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 | 08002002 008abc01 00104900 50010e10 200c1061 0410a168 10008c02 02003001 16600101 500108f0 04290004 60018002 80019802 01f00000 20160cc0 8204010c 08026000 82000006 04600000 10620002 c0020081 b82f8610 31806020 8270040c 0c150001 c0080000 0840c248 90000044 08444104 00060851 805c0000 00006620 |