On Target NK1R_HUMAN 0.35907337/CHEMBL107469
For the given ligand test molecule, we have found in our database that, being scored 0.35907337, the most similar ligand is CHEMBL107469. Check out the elaboration below.
| test molecule (Given Ligand) | CHEMBL107469 (Similar Ligand) |
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| COc1ncnc(OC)c1C(=O)Nc3nc(C(F)(F)F)c(c2ccccc2)s3 | CC(=O)Nc1nc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cs1 |
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| 10034043 01000019 2018098c 00010610 81000000 10024508 4040c580 18129409 00000900 a0000873 48302a04 50008600 08008008 00210001 21022803 801c200c 00820000 0200408c 04400010 c0a60000 84020001 08082e80 60a00c40 10414828 02041081 cc082980 00220a00 b0000744 0000430c 044e2001 c4005000 8c210380 | 00038002 0d803c00 00180904 04010e00 01000003 00100400 14808100 3202b00d 00000880 200909ea 08312a00 5001ac00 0a00886e 00002001 80022400 0804000c 00000000 02004082 00000010 00a08201 80000000 3823b780 60000823 8359001c 0000b080 cc108800 08240000 90000404 0c00010c 040e2013 a0045000 04030701 |