On Target CXCR4_HUMAN 0.3992095/CHEMBL570300
For the given ligand test, we have found in our database that, being scored 0.3992095, the most similar ligand is CHEMBL570300. Check out the elaboration below.
| test (Given Ligand) | CHEMBL570300 (Similar Ligand) |
|---|---|
| CC2(C)C(=O)N(c1ccc(C#N)c(C(F)(F)F)c1F)C(=S)N2c4ccc(CCCc3ncco3)nc4 | CN(Cc1cn2cccc(N3CCN(C)CC3)c2n1)[C@H]4CCCc5cccnc45 |
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| 0041400e 01800804 c0184322 52010e60 34040020 09000038 01000434 20002001 00004d00 008a2a50 08388004 5180b824 04009c01 0930b000 00020063 02040004 084c0600 06402808 88a00008 41000a15 441c0500 38018600 60826480 04500012 0115000a 81100381 04000440 98040081 08608004 00c68403 0c145000 68014688 | 1000400a 01804000 00104122 14800e30 08041160 08104020 0100e000 2a003003 00500900 000802c0 49318004 40810800 00000882 00b02800 00060441 020c0104 08062200 0600000e 88202408 40000205 40120100 38018820 21804020 02500112 00140002 c1100401 0800c440 90000088 08400106 00c60002 60040000 a0004680 |