On Target PAR1_HUMAN 0.3254717/CHEMBL3662513
For the given ligand aprepitant, we have found in our database that, being scored 0.3254717, the most similar ligand is CHEMBL3662513. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL3662513 (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 | Cc1cccc(n1)C(=O)NC2CC(CN(C2)C(=O)N3CCOCC3)c4ccc(cc4)C(F)(F)F |
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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 | 00000012 01007a00 00104102 94210e00 000400a1 00100002 00000404 2200300d 00300980 000b08d0 08390004 50038800 0000b802 01302000 00021408 020c010c 30000018 02000022 00200040 00000201 40000100 38278600 32802001 8350001c 00110400 c0000000 00800150 90001000 0c000304 0006000b a01c0000 00006600 |