On Target AA1R_HUMAN 0.33333334/CHEMBL3926610
For the given ligand YJING, we have found in our database that, being scored 0.33333334, the most similar ligand is CHEMBL3926610. Check out the elaboration below.
| YJING (Given Ligand) | CHEMBL3926610 (Similar Ligand) |
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| N=C(N)NNCc3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3 | COc1ccc(cc1OC)c2cnc(N)nc2c3ccccc3 |
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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 | 0000a002 40000809 a0000188 00050610 01001004 00004008 02042000 00080000 00000100 00000840 00000084 60008800 02004012 00300000 21020001 800c800c 00020080 02002000 04480000 40221200 00000000 0c020000 30802840 00400108 00040001 80080000 00020200 00000060 0001420c 00460009 40401800 000000a0 |