On Target TRPV1_RAT 0.32795697/CHEMBL2029640
For the given ligand aprepitant, we have found in our database that, being scored 0.32795697, the most similar ligand is CHEMBL2029640. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL2029640 (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(C)(C)C(=O)OCC(NC(=S)NCc1ccc(NS(=O)(=O)C)c(F)c1)c2ccc(cc2)C(C)(C)C |
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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 | 00000052 00000800 00100302 82310e00 000000c0 00400010 00000004 22003040 00001100 00082840 09202004 50009800 80008c00 00001001 800c1068 000a0008 28064400 12000000 04000040 00004200 40010120 08218a00 33000000 00400010 10000480 80000001 00000000 a000000d 01200300 00068002 00040000 80010668 |