On Target GASR_HUMAN 0.27014217/CHEMBL452991
For the given ligand HU-580, we have found in our database that, being scored 0.27014217, the most similar ligand is CHEMBL452991. Check out the elaboration below.
| HU-580 (Given Ligand) | CHEMBL452991 (Similar Ligand) |
|---|---|
| C=C(C)[C@@H]1CC/C(C)=C\[C@H]1c2c(O)cc(CCCCC)c(C(=O)OC)c2O | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45 |
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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 | 04003001 43005208 2010050a 80010702 001810e0 c2000002 42001000 20008241 00200880 010818c0 08300000 5083c340 00808002 22a00080 112c1029 120c2018 18800200 a2028000 07482000 00020a01 00000100 18240630 13004040 8350041c 20000400 c0000001 00920200 10000001 04010302 0006c80b 00020000 00002e00 |