On Target GRM5_HUMAN 0.35449734/CHEMBL3922815
For the given ligand Aprepitant, we have found in our database that, being scored 0.35449734, the most similar ligand is CHEMBL3922815. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3922815 (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 | CC1(C)COCCN1C(=O)c2ccc(cn2)C#Cc3cccc(F)c3 |
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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 | 1000021a 00024808 00104900 d2090e10 044430a0 00100010 00000000 02003001 00000100 20002850 00290004 50008004 80008802 08101000 00021408 020c010c 10000000 02000006 00200000 00800010 40000020 08828600 33802001 0240001c 10140404 c0000000 08800240 80000001 00400304 00068001 80040000 00006300 |