On Target MDR1_HUMAN 0.43452382/CHEMBL3613020
For the given ligand A26, we have found in our database that, being scored 0.43452382, the most similar ligand is CHEMBL3613020. Check out the elaboration below.
| A26 (Given Ligand) | CHEMBL3613020 (Similar Ligand) |
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| O=C(O)c1ccccc1NC(=O)/C=C/c3ccc(c2cccc(C(F)(F)F)c2)cc3 | COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)\C=C\c5ccccc5)cc3)Cc2cc1OC |
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| 10016202 00008800 00100100 00010600 00000001 00014040 80000480 00080400 01800100 00400850 00280084 6000900a 04008000 01110000 00020042 00080008 20060400 02001100 0c018000 10800008 41100000 08020e20 30002000 00400004 00004000 80000000 00402010 d00110c1 0040c000 00060001 c4100000 00000200 | 1000420a 46008808 20100108 50010600 00021020 80110040 82040080 02081400 01800080 20480840 08280044 6000c008 0000c882 20318000 01020443 00008008 20040600 03000120 08098000 00820200 40120000 18228600 20016000 81448014 00004000 c0000000 00726010 c0011080 04408300 0006000b a4040000 40002600 |