On Target MC4R_HUMAN 0.37799042/CHEMBL214988
For the given ligand Aprepitant, we have found in our database that, being scored 0.37799042, the most similar ligand is CHEMBL214988. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL214988 (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 | NCCNC(COCc1ccccc1)c2cc(F)ccc2N3CCN(CC3)C(=O)CCc4ccc(Cl)cc4Cl |
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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 | 0000c002 00002200 00100120 86010600 010000d0 00104070 00000000 22001048 00000900 20092ac0 08301004 70009880 0600a826 00013400 00161468 020c0009 18248000 03000002 0c000008 00a00201 40110520 78008720 33000021 0240001a 00002c00 c0002201 800c0000 90001081 08488300 0006900b 40040000 62020600 |