On Target 5HT1B_HUMAN 0.36363637/CHEMBL159381
For the given ligand Aprepitant, we have found in our database that, being scored 0.36363637, the most similar ligand is CHEMBL159381. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL159381 (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 | C(Cc1c[nH]c2ccc(cc12)n3cnnc3)N4CCC[C@@H]4COCc5ccccc5 |
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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 | 00000002 01800808 40100100 c1010710 000c10d0 00004014 00042000 20001000 00400180 000908c0 08201004 40018000 90000802 01410000 000c1048 020c100c 18808000 0200000c 00600400 00240201 40000020 18208028 33800000 91500010 00042400 80002000 08080080 10000001 04000200 00060002 c0040200 02202620 |