On Target VIPR1_HUMAN 0.23175965/CHEMBL520349
For the given ligand Aprepitant, we have found in our database that, being scored 0.23175965, the most similar ligand is CHEMBL520349. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL520349 (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 | CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c4ccc(F)c(Cl)c4 |
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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 | 10008006 04841a80 00120900 0a110600 00060007 00100032 14000010 23005002 00900100 000808c5 08200424 60008810 0a008806 40019000 801004c0 10080000 06001810 02000085 00200000 00100201 c0000000 1a0e8700 21800002 0048801d 000c6200 e8001000 40000410 d8000001 00480388 01078403 e0040000 00030620 |