On Target NK1R_HUMAN 0.41958043/CHEMBL378984
For the given ligand test1, we have found in our database that, being scored 0.41958043, the most similar ligand is CHEMBL378984. Check out the elaboration below.
| test1 (Given Ligand) | CHEMBL378984 (Similar Ligand) |
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| CC6(C)O[C@H]1CC(=O)OC[C@]17[C@H]5CC[C@@]4(C)[C@H](c2ccoc2)OC(=O)[C@H]3O[C@]34[C@]5(C)C(=O)C[C@@H]67 | OC(=O)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c3ccccc3 |
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| 00050040 81200008 80080102 00014300 802c00d1 00200000 00004000 00200040 000a6900 010a0040 04180000 4008d000 54008428 02b10000 00080000 5a089008 08820020 82050100 13402000 00002001 00000020 18000a00 05000040 08080014 00000400 80004000 00080410 0a800031 60000202 0002000a 40020000 02000400 | 00050000 010c0000 00100102 00010300 00280051 00004000 00000400 00000040 00000900 00080850 08100000 40009002 04008028 03a10000 00040000 02081008 08800000 02000100 14402008 40000001 00010120 08000a20 01000040 00400010 00000c00 80002000 00080000 90000000 00000202 01020002 40120004 02000600 |