On Target MDR1_HUMAN 0.4608295/CHEMBL2135037
For the given ligand ok, we have found in our database that, being scored 0.4608295, the most similar ligand is CHEMBL2135037. Check out the elaboration below.
| ok (Given Ligand) | CHEMBL2135037 (Similar Ligand) |
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| COc4ccc(c3cc1nccn1c(Nc2ccccc2C(N)=O)n3)cc4OC | COc1ccc(cc1)c2cc3nc(cc(N4CCN(CC4)C(=O)c5ccccc5)n3n2)c6ccccc6 |
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| 0000a20a 40800808 a0080108 08850600 01001044 0001c000 0204a000 00081800 00c00100 00000840 01208004 60009800 8600c832 00100000 01060041 080c800c 08060040 12006000 0cc90008 10a23200 40000000 4c02a640 b1806840 0040010c 00000000 80000000 00028000 000110e0 0000c20c 00461808 c0041800 400000a2 | 0001a003 00002809 e0000128 1c0d0600 01001024 00004006 02c4b000 02281808 00000100 31010a50 00200004 60019800 87008836 0010a001 01030401 001c600c 00268800 02806000 04400000 00e20000 00100000 2e068600 30806860 8240c11e 00162400 c0080000 30128200 800008e0 0800431c 00461c01 c0041a80 100042e0 |