On Target OPRX_HUMAN 0.38690478/CHEMBL1783823
For the given ligand Aprepitant, we have found in our database that, being scored 0.38690478, the most similar ligand is CHEMBL1783823. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1783823 (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(COC[C@H]1CCCN1Cc2ccccc2)CN3CCC4(CC3)OCc5ccccc45 |
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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 | 00000048 01000200 00100100 80010700 00080090 08004010 00000000 22001000 00000900 000808c0 08300000 50018800 00000802 01290000 00081408 020c1008 10a00000 02000200 00c00000 00000201 00000520 18008020 13004080 00500010 10000401 c0002201 00080000 90000001 00000300 0006000a 60040000 02002600 |