On Target MSHR_HUMAN 0.33918127/CHEMBL1682208
For the given ligand YJING, we have found in our database that, being scored 0.33918127, the most similar ligand is CHEMBL1682208. Check out the elaboration below.
| YJING (Given Ligand) | CHEMBL1682208 (Similar Ligand) |
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| OCCNCc3ccc(OCc1ccc(F)cc1)c(OCc2ccc(F)cc2)c3 | COCC(=O)N[C@H]1Cc2cc3COCOc3c(Cc4ccc(Oc5cccc(CN(CCCN6CCN(CCCN)CC6)C1=O)c5)cc4)c2 |
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| 04000008 44000008 20100108 02210600 00001080 00004010 02040000 02001000 00000100 00000840 00200000 40008000 00804802 00011080 01000401 02088008 10000000 02000200 00480000 00120200 00000000 08008020 02000000 00c49000 00000000 c0002000 00220000 80000001 00000300 00068008 40040000 00000200 | 00000000 44803608 20100108 04010600 08001081 00004800 02040000 23001a0c 00200980 000909e0 6c300000 4000f210 06008802 00012002 01181401 022c2008 10000800 82000000 00082008 40020301 80440100 38288620 13000021 83448018 00000800 e0402000 00120000 f4a00001 0d000380 0006001b 62044404 00012608 |