On Target CDK5_HUMAN 0.31428573/CHEMBL1981047
For the given ligand aprepitant, we have found in our database that, being scored 0.31428573, the most similar ligand is CHEMBL1981047. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL1981047 (Similar Ligand) |
|---|---|
| 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 | COC(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5 |
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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 | 1000401b 45800809 601001a0 94010e10 05000080 08104042 40804000 02003401 00800980 30180a50 08390064 4010d000 01008c22 0031a000 40031dc0 020c600c 10060000 87000002 08400000 00a21201 c0120080 38238e20 32814820 8344801e 00044000 c0202000 20364010 800010c1 0c00930c 00060003 e404a000 40000660 |