On Target ADA2A_HUMAN 0.33333334/CHEMBL317912
For the given ligand HU-580, we have found in our database that, being scored 0.33333334, the most similar ligand is CHEMBL317912. Check out the elaboration below.
| HU-580 (Given Ligand) | CHEMBL317912 (Similar Ligand) |
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| C=C(C)[C@@H]1CC/C(C)=C\[C@H]1c2c(O)cc(CCCCC)c(C(=O)OC)c2O | Oc1cccc2C(CCCc12)c3c[nH]cn3 |
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| 00000001 43000808 20000103 00010202 00010001 4082c400 02000001 00000e02 00040900 00980a42 28100000 40408840 00028022 00210000 00000420 0a082008 00020800 02100020 00202000 40020a01 00400500 08020a60 0100c000 00400014 00200000 80002201 04424200 80000000 00000203 00024002 e4020004 00010400 | 08000002 43000008 20000102 00810610 04000140 40080002 03002000 05001201 00400900 000808c0 28108000 40008840 00000002 00300800 00020000 000c200c 00010200 06000001 00102008 40020201 00100500 18008400 21004000 00460010 00040000 80000201 00000000 40000080 02000086 00424003 40000000 20010400 |