On Target NOS2_HUMAN 0.35885167/CHEMBL1911989
For the given ligand aprepitant, we have found in our database that, being scored 0.35885167, the most similar ligand is CHEMBL1911989. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL1911989 (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 | CC(NCCOCc1ccc2OCOc2c1)c3cc(C)nc(n3)n4ccnc4 |
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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 | 0000001a 48000808 20001108 c0050e00 450010d4 00104002 12042000 08003101 00200900 000c0848 4023900c 40018800 00005003 20110000 0102140d 022c800c 10208008 02800002 80480000 00220240 80040220 1c008020 338008c0 00400114 40106400 c1002600 084a0000 a0000001 0100030c 00460002 40008000 200142a0 |