On Target NK1R_HUMAN 0.48372093/CHEMBL361031
For the given ligand 94, we have found in our database that, being scored 0.48372093, the most similar ligand is CHEMBL361031. Check out the elaboration below.
| 94 (Given Ligand) | CHEMBL361031 (Similar Ligand) |
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| COc1ccccc1NC(=O)CSc3nnc(Cc2cccn2C)n3CCc4ccccc4 | Clc1cccc(NC(=O)CSc2nnc(c3ccncc3)n2c4ccccc4)c1 |
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| 0000400e 00304308 70100928 10118e02 810b1020 00080004 06800100 2c003200 00060510 125c4cc0 0928810c 42818900 00008006 00140000 01020441 000c640c 04048000 02000007 88600000 00260a41 40300000 1e818600 21b02000 81488410 22000000 c0000201 20204040 d00100c0 04208204 0006004b a6000280 22210654 | 0000c006 00100908 e0084920 01108602 01050040 00000004 08800100 20003000 00060110 02004c40 0138010c 40008908 82008804 00140201 00060040 000c200c 0c048000 02002204 88600000 02244040 40380000 0a008700 21b02000 00084010 22002000 40000040 10204000 000000e0 20208004 00061041 80040c80 02230364 |