On Target CAPSD_HCV77 0.34251967/CHEMBL3645743
For the given ligand erastin, we have found in our database that, being scored 0.34251967, the most similar ligand is CHEMBL3645743. Check out the elaboration below.
| erastin (Given Ligand) | CHEMBL3645743 (Similar Ligand) |
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| CCOc1ccccc1n5c(C(C)N3CCN(C(=O)COc2ccc(Cl)cc2)CC3)nc4ccccc4c5=O | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc3cc(OC)ccc3[nH]1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
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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 | 000180a2 0900b808 26100108 15210e00 00041020 00100010 060a0000 22003409 10000000 0011c9c8 00692004 4001b000 0601881e 01502011 a1420441 0204010c 04004000 02000006 46212000 00024201 40000000 38078638 20802003 b2d0003c 00102000 c0000000 00000000 90000010 08000304 c0060081 e4064204 00016260 |