On Target GRM8_HUMAN 0.24423963/CHEMBL3560922
For the given ligand Aprepitant, we have found in our database that, being scored 0.24423963, the most similar ligand is CHEMBL3560922. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3560922 (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 | COC(=O)c1ccc(cc1)n2c(C)cc(C(=O)COc3ccc(OC(=O)C)cc3)c2C |
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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 | 0400100a 00801a08 20080108 d0090610 00005060 0200c000 02002000 00001044 00500100 000838d0 00040004 4001c000 80808802 00218200 010b00c1 0a0c200c 18020000 82800004 04200500 00020000 c4000000 18068a20 31804000 8140001c 00042000 c0002040 08080008 00001804 04000204 1006084a c0040200 12000020 |