On Target NOS1_HUMAN 0.2937853/CHEMBL1270460
For the given ligand aprepitant, we have found in our database that, being scored 0.2937853, the most similar ligand is CHEMBL1270460. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL1270460 (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 | Fc1cccc(CCNCCO[C@H]2CNC[C@H]2CC3CCCC(=N)N3)c1 |
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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 | 00000000 01000000 00100100 82010f00 00180080 00000010 00000000 20002000 00200280 000828c3 08210000 50038000 00000002 00881000 00081008 00181008 10a00000 02000000 00c02000 00000201 00000020 18230030 13000080 81500010 30000400 80000000 c0000200 10000001 04200210 00068002 80020000 00002e00 |