On Target MDR1_HUMAN 0.31939164/CHEMBL2074675
For the given ligand test, we have found in our database that, being scored 0.31939164, the most similar ligand is CHEMBL2074675. Check out the elaboration below.
| test (Given Ligand) | CHEMBL2074675 (Similar Ligand) |
|---|---|
| CC2(C)C(=O)N(c1ccc(C#N)c(C(F)(F)F)c1F)C(=S)N2c4ccc(CCCc3ncco3)nc4 | C[C@H](N)c1ccc(cc1)N2CCC(CC2)c3nc(c4cccc(c4)C(F)(F)F)c(c5ccncc5)n3C.OCl(=O)(=O)=O |
|
|
|
|
|
|
| 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 | 0004c00a 01000c01 00105500 d0010610 20040041 00012008 00000620 20081040 00000100 000818d0 0830808c 70018802 82001882 01308000 20020040 800c200c 00068000 86003000 0c600008 40080219 e0100008 18028400 21802000 00500410 00040001 c1080000 00000208 900011c0 0001c007 00e60802 401408a4 20020620 |