On Target NS3_HCV1B 0.29296875/CHEMBL3954962
For the given ligand erastin, we have found in our database that, being scored 0.29296875, the most similar ligand is CHEMBL3954962. Check out the elaboration below.
| erastin (Given Ligand) | CHEMBL3954962 (Similar Ligand) |
|---|---|
| CCOc1ccccc1n5c(C(C)N3CCN(C(=O)COc2ccc(Cl)cc2)CC3)nc4ccccc4c5=O | C=CC(=O)NC[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CCC)C(OC(=O)C(F)(F)F)C(=O)NC1CC1 |
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| 0400a00a 00002208 20400008 14300e12 800c10e0 00104120 02009802 0000b009 06100100 400008e0 0125800c 4081c800 0280b806 00602200 011610c1 020c410c 18000018 80008402 00600000 00020000 600000c1 38078738 33800061 83300418 00102000 c0080040 20108008 00040001 0c004304 00460009 40640000 e01266a2 | 10018002 01807400 00100b00 94010f10 000800c0 00100010 0000c00c 20003409 11000000 000101a0 01290000 4001f000 0e00801a 01112001 809a1408 000c110c 18860000 82000103 02402010 00001205 80000120 300f8e30 33004003 0250001c 00141400 00000000 08880000 90000005 08000204 01060813 a4024000 82002600 |