On Target EDNRA_HUMAN 0.28/CHEMBL414605
For the given ligand D9-1, we have found in our database that, being scored 0.28, the most similar ligand is CHEMBL414605. Check out the elaboration below.
| D9-1 (Given Ligand) | CHEMBL414605 (Similar Ligand) |
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| CC(C)Cc1ncc(CCCNC(=N)N)[nH]c1=O | CC(C)C[C@H](NC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc2cn(C)c3ccccc23)c4nc(C(=O)O)c(C)[nH]4 |
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| 0000002a 00002000 00100400 10800c10 00000242 00000000 0000a824 00002008 16400a00 000800b2 08208000 40000000 00009080 02000800 00820000 00140004 08000000 06000000 00000408 00000001 24020080 10018000 21000000 00200010 00040000 40000000 48000000 10000104 00000014 00860808 80280000 20000200 | 0201000a 01003800 00100d00 55810e10 00045040 00108002 00002004 2000200d 00400b80 400f08d0 08398064 4601b800 1c00b882 08702800 008200c0 080c010c 00008010 87800022 02202448 40000a01 c0000100 38278e18 21800001 9350001c 00152800 81000000 08000010 10001000 0c000004 00c60803 e00c4280 20002620 |