On Target AOFB_HUMAN 0.32718894/CHEMBL3407581
For the given ligand 94, we have found in our database that, being scored 0.32718894, the most similar ligand is CHEMBL3407581. Check out the elaboration below.
| 94 (Given Ligand) | CHEMBL3407581 (Similar Ligand) |
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| COc1ccccc1NC(=O)CSc3nnc(Cc2cccn2C)n3CCc4ccccc4 | CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C |
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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 | 04000002 01008008 20100108 10010f00 004c3020 02100000 06080000 22103001 00000000 000008c0 00210004 50018000 00800806 00e00000 11120541 020c210c 00800000 02000006 00602000 00020201 40020001 18018018 21810000 80700010 00102000 c0000000 00004000 90000000 00000304 00060040 20040200 00004200 |