On Target CXCR4_HUMAN 0.41558442/CHEMBL1650560
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 0.41558442, the most similar ligand is CHEMBL1650560. 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) | CHEMBL1650560 (Similar Ligand) |
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| CN4C(=O)C(O)(C2CC(=O)N(c1ccc(Cl)cc1)C2=O)c3cccnc34 | NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)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 01007a08 20100100 45910e10 000c1280 00000000 02002000 2000200c 00600a80 020f08c2 08300004 4003b000 1e00981a 01442801 80180040 001c000c 10000000 02000000 00602408 00420301 40000100 38258e38 23800203 97500018 00043800 80000000 48120000 10000000 0c000010 0006002b a00c4200 03012620 |