On Target CCKAR_HUMAN 0.27799228/CHEMBL250974
For the given ligand Aprepitant, we have found in our database that, being scored 0.27799228, the most similar ligand is CHEMBL250974. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL250974 (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 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c4ccccn4)c5c[nH]c6ccccc56)c(OC)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 | 12000003 01800808 6010530a 50010e10 01041020 00180106 42846000 0e003603 80400d80 101c0840 09398124 46008840 00009806 00500000 01830441 020c210c 5002a408 06000027 00680408 00271841 c0000501 3843ae08 25802040 8144041c 00156810 c0000600 08220040 80031000 04080304 00060003 a6048280 a0004620 |