On Target OPRK_HUMAN 0.34517765/CHEMBL4100943
For the given ligand Aprepitant, we have found in our database that, being scored 0.34517765, the most similar ligand is CHEMBL4100943. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL4100943 (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 | Oc1ccc2CC3N(CC4CC4)CCC5(C6[C@H]7CN(Cc8ccccc8)C6CCC35O7)c2c1 |
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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 43000208 20100502 80010700 001800e1 40000012 02001000 22001041 00100880 000818c0 08340000 50818000 00000802 01a80000 000c1428 020c1008 18a00200 02000000 06c02000 00020201 00010120 18208030 130040c0 81500010 30000401 c0000001 00120200 90000001 04000302 0006080a 20060000 00002e00 |