On Target V1AR_HUMAN 0.34579438/CHEMBL1837024
For the given ligand Aprepitant, we have found in our database that, being scored 0.34579438, the most similar ligand is CHEMBL1837024. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1837024 (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 | C(N1CCOCC1)c2nnc(C3CCN(CC3)c4ccccn4)n2Cc5ccccc5 |
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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 | 00004012 01000408 40105100 80010e00 21040080 00102006 00800020 28103601 80000900 301408c0 00218124 56018840 00001806 00000000 00031008 000c210c 10048008 06004022 08680008 00a70241 60100401 1c41a000 37800840 81700410 00012410 c0000600 00000080 10031181 0400820c 00068800 84041080 20000200 |