On Target OPRX_HUMAN 0.35/CHEMBL3349269
For the given ligand 94, we have found in our database that, being scored 0.35, the most similar ligand is CHEMBL3349269. Check out the elaboration below.
| 94 (Given Ligand) | CHEMBL3349269 (Similar Ligand) |
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| COc1ccccc1NC(=O)CSc3nnc(Cc2cccn2C)n3CCc4ccccc4 | COc1ccc(nc1)[C@]2(CNC(=O)C)C[C@H]3CC[C@@H](C2)N3C(c4ccccc4Cl)c5ccccc5Cl |
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| 0000400e 00304308 70100928 10118e02 810b1020 00080004 06800100 2c003200 00060510 125c4cc0 0928810c 42818900 00008006 00140000 01020441 000c640c 04048000 02000007 88600000 00260a41 40300000 1e818600 21b02000 81488410 22000000 c0000201 20204040 d00100c0 04208204 0006004b a6000280 22210654 | 0400800a 01001208 6010412a 10010600 00041020 00000014 018c0020 2320100c 00200880 80080ac0 08308004 50878800 02008806 08200000 01020400 0204000c 00000000 0e000000 08202008 00020201 60100d00 18248710 20800000 81508018 00003400 e0000200 00120040 d0011180 04000386 0086000b 2c060000 20022600 |