On Target PTN22_HUMAN 0.1369863/CHEMBL1467623
For the given ligand Genipin, we have found in our database that, being scored 0.1369863, the most similar ligand is CHEMBL1467623. Check out the elaboration below.
| Genipin (Given Ligand) | CHEMBL1467623 (Similar Ligand) |
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| COC(=O)/C1=C/O[C@@H](O)[C@@H]2/C(CO)=C\C[C@H]12 | Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3cc4c(cc3Cl)OCO4)ccc12 |
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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 | 04008040 48202008 20080108 00010200 00051213 00404120 93045000 41000208 022a4900 40080848 4c100020 40409800 4680c406 20210082 0100008d 1228a008 00001020 02008440 08480008 00020201 00045300 0a000b28 01204048 00d81010 48007850 80006303 00520031 2a900001 23002300 11020802 40000000 00030400 |