On Target MDR1_HUMAN 0.33333334/CHEMBL343002
For the given ligand Omeprazole, we have found in our database that, being scored 0.33333334, the most similar ligand is CHEMBL343002. Check out the elaboration below.
| Omeprazole (Given Ligand) | CHEMBL343002 (Similar Ligand) |
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| COc3ccc2nc(S(=O)Cc1ncc(C)c(OC)c1C)[nH]c2c3 | CCOc1ccc(cc1)c2nc3cc(ccc3[nH]2)c4nc5cc(ccc5[nH]4)N6CCN(C)CC6 |
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| 00000002 44008028 2000652a 10502211 00041060 00004000 16080104 00000008 04020100 0001485d 01008004 42008000 00001806 40640000 81020041 022e200c 24000008 0200030c 80280820 00064000 42100002 1800aa20 21800000 01480000 00242000 90018000 48000048 00000000 00400304 00c60020 40080000 002580e0 | 04004002 00800808 20000128 140d0600 00041060 00004000 02048000 00080000 10000100 10000a40 01308004 40008000 00800022 0040a000 01020041 020c000c 00040000 0200200c 08200000 00420004 40100000 28040020 21800020 02400012 00000000 80000000 000200c0 00000080 08408204 00460c00 40000800 000002e0 |