On Target MDR1_HUMAN 0.4177215/CHEMBL1823872
For the given ligand 1-(4-chlorophenyl)-3-(3-hydroxy-1-methyl-2-oxo-2,3-dihydro-1H-pyrrolo [2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione, we have found in our database that, being scored 0.4177215, the most similar ligand is CHEMBL1823872. Check out the elaboration below.
| 1-(4-chlorophenyl)-3-(3-hydroxy-1-methyl-2-oxo-2,3-dihydro-1H-pyrrolo [2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione (Given Ligand) | CHEMBL1823872 (Similar Ligand) |
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| CN4C(=O)C(O)(C2CC(=O)N(c1ccc(Cl)cc1)C2=O)c3cccnc34 | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |
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| 0007c002 01005a00 00187102 01800610 20141380 00006010 03002000 20100000 00700900 200b08c0 003800a4 4003d800 17009816 00300800 40020140 000c000c 00048000 02004004 08e00408 00a00201 40120500 1c348760 23802880 9170001c 00043801 00000200 08080090 10001080 0440800a 0006080b c0003080 22c20f00 | 00030003 81007e10 60100100 45910710 00041280 00000100 00002000 2000000c 00600880 020f09c0 08300004 4003b000 1e00880e 00442801 80180040 000c000c 10000000 02000001 00a02418 004c2301 40000140 382c8e38 23800683 97500018 00043801 80800000 08000400 50000000 0c000002 0006803b 20044200 03c12620 |