On Target CXCR1_HUMAN 0.30097088/CHEMBL4442431
For the given ligand mescaline, we have found in our database that, being scored 0.30097088, the most similar ligand is CHEMBL4442431. Check out the elaboration below.
| mescaline (Given Ligand) | CHEMBL4442431 (Similar Ligand) |
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| COc1cc(CCN)cc(OC)c1OC | C[C@@H](C(=O)[N-]S(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1.[Na+] |
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| 00000001 42000008 20000108 00010600 00001000 80000000 42040000 00000000 00000000 00080840 08000000 40008000 00004002 20000000 01000001 00008008 00000000 02000004 00080000 00020a00 00000000 18000000 00000000 81400010 00000000 80000000 00120000 00000000 04000200 0006000a 00000000 00000400 | 00000040 20020008 20100300 01710600 20002020 00000000 82010000 00001200 00800000 00c80840 08002000 40009000 01008003 00200003 c0080000 00001008 02000000 02000000 00810000 00024000 00000000 19000600 00000000 91400011 02080000 80000000 10120000 8000000c 04000000 00060402 00002000 00010e60 |