On Target CXCR3_HUMAN 0.38425925/CHEMBL230453
For the given ligand Aprepitant, we have found in our database that, being scored 0.38425925, the most similar ligand is CHEMBL230453. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL230453 (Similar Ligand) |
|---|---|
| C[C@@H](O[C@H]2OCCN(Cc1nc(=O)[nH][nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4 | CCOCCN([C@H](C)C1=Nc2ccccc2C(=O)N1c3ccc(F)cc3)C(=O)Cc4ccc(cc4)C(F)(F)F |
|
|
|
|
|
|
| 00000018 000d0008 40100100 82010e00 090000d1 00104014 00801c00 0a003441 04200900 00180870 0c211020 44008802 00008802 01011000 00261408 0228210c 18008040 02000182 04400000 40300000 00010020 08008030 33000000 00400010 10000400 c0002400 00080000 b4020001 00008306 00068002 c4540084 02002600 | 0000001a 01004200 00100100 92010e10 000c00e0 00104030 00009c02 00003001 06100180 400808f0 0921800c 40819800 01009802 01601200 400e10c8 020c010c 18000008 02008002 00600000 00220a01 40000081 18218638 33800841 81700418 00100400 c0080040 20808100 90040001 04004204 0046800b 40742000 e0106680 |