On Target NMDZ1_HUMAN 0.23553719/CHEMBL435844
For the given ligand aprepitant, we have found in our database that, being scored 0.23553719, the most similar ligand is CHEMBL435844. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL435844 (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 | OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN3CC(=O)N(C3=O)c4ccc(F)cc4 |
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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 | 1001c006 09802800 00100120 16010e10 010c1020 0000c030 04004084 0a003009 00000300 00090a48 01280004 4000a800 0600888e 0070b400 800204c0 020c000c 0006c008 02c0200c 08200040 00200001 c0120100 28078fe8 20822002 8240011e 00146000 c0000400 08044000 80000081 08008104 00068001 e004c200 80424220 |