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| threshold chemical similarty (tanimoto coefficient) |
[0.5] [0.6] [0.7] [0.8] [0.9] [1.0] | max number of compounds | [1] [5] [10] [20] [30] [40] [50] |
| compound | similarity | compound | similarity | compound | similarity | compound | similarity | compound | similarity |
| query [2D] [3D] |
*** | ZEI | 0.692 | 4Y4 | 0.690 | N0E | 0.680 | V85 | 0.680 |
| XRT | 0.633 | BN5 | 0.606 | RIU | 0.594 | A1AC1 | 0.581 | RAC | 0.581 |
| L7Q | 0.571 |
| Nrank | Protein | Nresidue | pdb_id+asym_id |
| 1 | Fab 29G12 light chain | 213 |
[RAC]: 1mex_A_C
|
| 2 | Fab 29G12 heavy chain | 211 |
[RAC]: 1mex_B_C
|
| 3 | R1AB_SARS2 Helicase | 585 |
[N0E]: 5rm7_B_H
|
| 4 | SCN5A_RAT:SCN5A_RAT:SCN5A_RAT:B7UCZ6_9RHAB Sodium channel protein type 5 subunit alpha,Sodium channel protein type 5 subunit alpha,Sodium channel protein type 5 subunit alpha,G protein/GFP fusion protein | 1118 |
[4Y4]: 7fbs_A_O
|
| 5 | ENPP2_RAT Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | 805 |
[XRT]: 7g38_A_C
|
| 6 | Q3Y6H8_PSEAI Neutral metalloproteinase | 298 |
[V85]: 7oc7_A_C
|
| 7 | POLG_SOUV3 Genome polyprotein | 172 |
[N0E]: 6tbo_A_E
[N0E]: 6tbo_B_E
|
| 8 | R1AB_SARS2 3C-like proteinase | 300 |
[RIU]: 7gmb_A_I
[RIU]: 7gmb_B_O
[L7Q]: 7gc2_A_E
[L7Q]: 7gc2_A_E
|
| 9 | PHS2_RABIT Glycogen phosphorylase, muscle form | 816 |
[BN5]: 1wv1_A_C
[BN5]: 1wv1_A_C
[BN5]: 1wv1_A_C
[BN5]: 1wv1_A_C
|
| 10 | TRPV1_HUMAN Transient receptor potential cation channel subfamily V member 1 | 531 |
[ZEI]: 8gfa_A_F
[ZEI]: 8gfa_A_PA
[ZEI]: 8gfa_B_F
[ZEI]: 8gfa_B_T
[ZEI]: 8gfa_C_T
[ZEI]: 8gfa_C_DA
[ZEI]: 8gfa_D_DA
[ZEI]: 8gfa_D_PA
|
| 11 | TERA_HUMAN Transitional endoplasmic reticulum ATPase | 274 |
[A1AC1]: 8vku_A_G
[A1AC1]: 8vku_B_H
[A1AC1]: 8vku_C_I
[A1AC1]: 8vku_D_J
[A1AC1]: 8vku_E_K
[A1AC1]: 8vku_F_L
[A1AC1]: 8vls_A_M
[A1AC1]: 8vls_B_N
[A1AC1]: 8vls_C_O
[A1AC1]: 8vls_D_P
[A1AC1]: 8vls_E_Q
[A1AC1]: 8vls_F_R
[A1AC1]: 8vls_G_S
[A1AC1]: 8vls_H_T
[A1AC1]: 8vls_I_U
[A1AC1]: 8vls_J_V
[A1AC1]: 8vls_K_W
[A1AC1]: 8vls_L_X
[A1AC1]: 8vov_A_H
[A1AC1]: 8vov_B_J
[A1AC1]: 8vov_C_L
[A1AC1]: 8vov_D_N
[A1AC1]: 8vov_E_P
[A1AC1]: 8vov_F_R
|