On Target EDNRA_HUMAN 0.36324787/CHEMBL96614
For the given ligand Aprepitant, we have found in our database that, being scored 0.36324787, the most similar ligand is CHEMBL96614. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL96614 (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 | Cc1cc(C)nc(O[C@H](C(=O)O)[C@]2(NCc3nnc(C)n3c4ccccc24)c5ccccc5)n1 |
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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 | 0000001a 00000818 40140d00 10050f00 810000c0 00184186 02802000 0b007441 00010b00 00180840 093d0124 6400d800 0c008882 00100300 20461640 001c218c 18008000 82000027 04c00018 00260201 40020141 1801aa00 37e000c0 0840011c 00001811 e1000440 00000000 c0021001 01000384 00c61803 d4040080 e43406a0 |