On Target NK1R_HUMAN 0.48/CHEMBL2369607
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 0.48, the most similar ligand is CHEMBL2369607. 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) | CHEMBL2369607 (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](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCc5ccccc5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](Cc7ccccc7)NC1=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 | 00010002 01007a00 00100102 45810610 00041280 00000010 00002000 2000000c 00500880 000908c0 08300004 4001b000 1e008812 00602801 80180040 000c000c 10000000 02000000 00a00408 00000201 40000100 38248628 23800083 93500018 00043801 80000000 08000000 10000000 0c000000 0006000b 20044200 00402620 |