On Target GRM1_HUMAN 0.33333334/CHEMBL233708
For the given ligand Aprepitant, we have found in our database that, being scored 0.33333334, the most similar ligand is CHEMBL233708. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL233708 (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 | COCCNC(=O)c1[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c1C |
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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 | 0000001a 0080d800 00000100 10010e10 040000b0 00108000 10900000 02003005 10400100 00000c10 40290004 40008800 00008802 08318000 00021480 0a0c010c 10020001 02000006 00210000 40000001 80020020 08048e00 33802000 0040001c 00140400 40000000 08884000 80000001 04000305 00060001 c0000204 02004220 |