On Target MSHR_HUMAN 0.24479167/CHEMBL1682208
For the given ligand YJING, we have found in our database that, being scored 0.24479167, the most similar ligand is CHEMBL1682208. Check out the elaboration below.
| YJING (Given Ligand) | CHEMBL1682208 (Similar Ligand) |
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| N=C(N)NNCc3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3 | COCC(=O)N[C@H]1Cc2cc3COCOc3c(Cc4ccc(Oc5cccc(CN(CCCN6CCN(CCCN)CC6)C1=O)c5)cc4)c2 |
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| 0400800c 4c000028 20000108 00210e00 00001000 00004000 02040000 00001002 00000100 00000842 00000000 40008800 02804886 00010080 21000001 0208800c 00000000 02000800 84480000 00020200 00040000 08008120 40000000 00c89000 00202000 80002000 40260000 00000000 00000220 004e0008 40040000 00020080 | 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 |