On Target NPSR1_HUMAN 0.27906978/CHEMBL469695
For the given ligand Aprepitant, we have found in our database that, being scored 0.27906978, the most similar ligand is CHEMBL469695. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL469695 (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 | Fc1ccc(CNC(=O)N2CCN3C(C2)C(OC3=O)(c4ccccc4)c5ccccc5)cc1 |
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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 | 01000000 00c07200 00100300 06010e00 00000080 0001c010 00000005 2300300c 00c00b80 000a08c0 09300000 40008000 0000b802 00013100 00101000 021e0008 10264010 02000500 008008c0 00100201 80000100 38358c30 130000a1 83400018 00010003 a0003002 10000000 d0200021 0c000380 0006800f c00c0000 80000600 |