On Target ESR1_HUMAN 0.31491712/CHEMBL183162
For the given ligand aprepitant, we have found in our database that, being scored 0.31491712, the most similar ligand is CHEMBL183162. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL183162 (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 | Oc1ccc2[C@H]([C@H](OCc2c1)c3ccccc3)c4ccc(OCCN5CCCC5)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 | 04002000 48000008 20100108 00010602 000010d0 00004410 02140400 25000040 00000900 000808c8 08300000 40008800 00800002 00210000 010c1001 02080008 18000000 02000200 04000002 00020201 00010520 18140020 13404000 00400010 00000400 a0002201 001a0000 50000001 02000281 00060802 40000000 02000700 |