On Target PA_INFA 0.37007874/CHEMBL4439050
For the given ligand erastin, we have found in our database that, being scored 0.37007874, the most similar ligand is CHEMBL4439050. Check out the elaboration below.
| erastin (Given Ligand) | CHEMBL4439050 (Similar Ligand) |
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| CCOc1ccccc1n5c(C(C)N3CCN(C(=O)COc2ccc(Cl)cc2)CC3)nc4ccccc4c5=O | COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(N)c(=O)c(O)c2C1=O |
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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 | 0000001a 80807e08 70104100 d0010e20 080400ac 00120044 0c000000 23203401 02300800 801908c0 0839000c 40018000 00009806 00500000 001a1d80 020c210c 10004000 0200400a 00200000 00060201 c0000141 382f8610 32802000 c350001c 08112400 e0000080 00c00060 d0040001 0c040384 0446001b a40c0000 40004680 |