On Target NK1R_HUMAN 0.44444445/CHEMBL3651892
For the given ligand test, we have found in our database that, being scored 0.44444445, the most similar ligand is CHEMBL3651892. Check out the elaboration below.
| test (Given Ligand) | CHEMBL3651892 (Similar Ligand) |
|---|---|
| CC2(C)C(=O)N(c1ccc(C#N)c(C(F)(F)F)c1F)C(=S)N2c4ccc(CCCc3ncco3)nc4 | CN([C@@H]1CN(CC1c2ccc(F)cn2)C(=O)C3CCN(CC3)C(=O)C)C(=O)N(C)c4cc(cc(c4)C(F)(F)F)C(F)(F)F |
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| 0041400e 01800804 c0184322 52010e60 34040020 09000038 01000434 20002001 00004d00 008a2a50 08388004 5180b824 04009c01 0930b000 00020063 02040004 084c0600 06402808 88a00008 41000a15 441c0500 38018600 60826480 04500012 0115000a 81100381 04000440 98040081 08608004 00c68403 0c145000 68014688 | 0c02000e 01083600 00104120 16010e00 04040021 00000030 00000424 2000200d 00200880 000a0bf0 08388004 50839006 0400b802 09103000 01020040 0204000d 00040018 0e402080 08200008 00100211 60000100 382d8600 20822001 83500018 00151000 80000000 00000040 90000181 0c408004 0086001b 00100800 20806600 |