On Target CXCR4_HUMAN 0.28404668/CHEMBL1256528
For the given ligand Nefazodone, we have found in our database that, being scored 0.28404668, the most similar ligand is CHEMBL1256528. Check out the elaboration below.
| Nefazodone (Given Ligand) | CHEMBL1256528 (Similar Ligand) |
|---|---|
| CCc3nn(CCCN2CCN(c1cccc(Cl)c1)CC2)c(=O)n3CCOc4ccccc4 | NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H]4CSSC[C@@H](NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCNC(=O)CCC(=O)NCCCCN7CCC(CC7)NC(=O)C(=O)Nc8ccc(Cl)cc8)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc9ccc(O)cc9)NC4=O)C(=O)NC(CCCNC(=N)N)C(=O)N |
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| 0400c006 00000409 60100028 05010742 01181010 80008484 0a800800 00000200 04200102 90060be0 0020890c 42008800 02808006 01402001 010210c1 000ab00c 00b48000 00080000 18400000 00264200 c0100000 38240150 23000021 06600412 00002040 c0000200 40000000 000100a0 09008305 00060010 80200080 20020b48 | 0003c002 81003e18 60100120 46110f00 00000000 00000110 02000000 2200300c 04200a80 020f0be2 08380004 5003b800 0600981e 00143001 80200440 00140008 00040000 02000100 08002008 005e2301 40100140 382f8738 20002603 8750001e 00002800 c0800080 401a0400 90000081 0c008112 0006803b a00c5000 03c32600 |