On Target AA2AR_HUMAN 0.36129034/CHEMBL601413
For the given ligand DS-245, we have found in our database that, being scored 0.36129034, the most similar ligand is CHEMBL601413. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL601413 (Similar Ligand) |
|---|---|
| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4ccccc4F |
|
|
|
|
|
|
| 0002800a 09003900 02100902 15910e54 18000100 02120022 074030a0 2a01f00f 84400800 004948d8 00218a00 d004b820 060188d6 08243c21 84422400 00040304 04009200 060000a6 00202018 80004a41 44101800 f88f8780 20004309 52c1001c 02143000 cc010401 00200a00 90003184 080a0304 04861825 a8044080 21032210 | 0001404a 1380e800 0210430a d3810618 081e1161 00118010 0140a080 0a009009 10402800 000818c0 08388204 5081d080 04108831 00f01822 000220c0 0204040c 01051600 0600001c 08202418 8400020d d0501100 480e86c0 20816080 b240001c 02041002 8c000403 482080c0 80000085 08c28306 088e8003 80040000 60c10e40 |