On Target PRGR_HUMAN 0.3368984/CHEMBL559974
For the given ligand aprepitant, we have found in our database that, being scored 0.3368984, the most similar ligand is CHEMBL559974. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL559974 (Similar Ligand) |
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| C[C@@H](O[C@H]2OCCN(Cc1nc(=O)[nH][nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4 | CC(N(Cc1ccccc1Cl)c2ccc(C#N)c(Cl)c2)c3nncn3C |
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| 00000018 000d0008 40100100 82010e00 090000d1 00104014 00801c00 0a003441 04200900 00180870 0c211020 44008802 00008802 01011000 00261408 0228210c 18008040 02000182 04400000 40300000 00010020 08008030 33000000 00400010 10000400 c0002400 00080000 b4020001 00008306 00068002 c4540084 02002600 | 0000c002 00200808 40000100 01010e00 01020020 00100004 08800000 0a003601 00000900 00940840 00218124 4700c800 02000806 00008009 01020440 0008200c 00448000 02400002 08c00000 00264000 40100801 08018100 21010400 00400410 00002000 c0000601 00000000 80030180 00008104 00060400 8c040080 20020200 |