On Target PPIA_HUMAN 0.24454148/CHEMBL3220750
For the given ligand Genipin, we have found in our database that, being scored 0.24454148, the most similar ligand is CHEMBL3220750. Check out the elaboration below.
| Genipin (Given Ligand) | CHEMBL3220750 (Similar Ligand) |
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| COC(=O)/C1=C/O[C@@H](O)[C@@H]2/C(CO)=C\C[C@H]12 | C=CCNC(=O)/C=C/C=C(\C)[C@@H]1C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O1 |
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| 00010000 81000000 00000801 10010101 00290001 00000001 00020000 08001402 01000000 00508048 08000200 40409010 8402802a 02800000 02000405 01280008 00820004 00000000 10446010 00008a01 00000000 00000a00 0100a000 00000010 00201000 80200400 00405000 a0000000 00004240 00000000 0e00a000 00000010 | 00050044 c384b208 20102140 84010700 40190100 c0000001 02510000 2000041c 03200880 001a0cc0 48340218 4043b000 1602803a 21a32001 a0021484 000c100c 20820000 02000100 25d92098 1002aa01 80000120 38241e10 4341e083 8350001a 10001c11 80000100 10496000 90000020 0d000240 000e000b 2c02e000 04842618 |