On Target PPAP_HUMAN 0.20111732/CHEMBL507996
For the given ligand aprepitant, we have found in our database that, being scored 0.20111732, the most similar ligand is CHEMBL507996. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL507996 (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 | Cl.COc1ccc(cc1)[C@@H](N[C@H](C)c2ccccc2)P(=O)(O)O |
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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 | 00010010 00000608 20000108 00010600 00001000 00400000 06040000 82001000 000000c0 00080840 08200000 40008000 00000802 00020000 8108040d 00000008 00003028 02000000 00000000 00020200 00000000 0d308000 00000000 00400010 00000000 c6010006 00220000 80014000 00000300 30060002 00040000 00028603 |