On Target CNR2_HUMAN 0.536/CHEMBL3939093
For the given ligand DS-245, we have found in our database that, being scored 0.536, the most similar ligand is CHEMBL3939093. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL3939093 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | Clc1cccc(c1)c2cccc(n2)C(=O)N[C@@H](CC3CC3)c4nccs4 |
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| 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 | 0002a00a 01001800 02104100 10810e00 10040021 00100002 074000a0 2209f04b 00000000 104008c0 00298a04 d0018800 020088d6 01100020 80022400 02040104 00021000 060020a6 04202018 00406a01 40101800 d8078f80 30802000 0051001c 02102000 cc010000 00300050 900011c4 00004304 01a61401 a8040800 20034210 |