On Target ADRB2_HUMAN 0.33502537/CHEMBL235612
For the given ligand Aprepitant, we have found in our database that, being scored 0.33502537, the most similar ligand is CHEMBL235612. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL235612 (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[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc3c(F)cccc3F)NC[C@H](O)c4ccc(O)c(CO)c4 |
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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 | 00000082 0080c808 20100100 12010e00 000410a1 00104010 02000000 02003801 00000980 00090840 a8390004 c0008000 00008802 00501000 000a0440 020c210c 12002200 02000006 00200000 40020201 c0000100 18268628 22802000 a140001c 00100000 c0000000 00520040 80000001 04400104 01068003 c0040200 00006600 |