CN(C)C(=N)/N=C(N)/N #580 Output Download CSV
The docking scores are in the AutoDock Vina metric.
ACM5_HUMAN
Docking Scores:
-5.49
-4.72
-5.37
Similarity Score:
11.76%
Best Match:
CHEMBL667
Prediction Result:
Inactive88.76%
ACTHR_HUMAN
Docking Scores:
-4.48
-4.46
-5.36
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A
ADA1D_HUMAN
Docking Scores:
-4.49
-4.72
-4.68
Similarity Score:
12.00%
Best Match:
CHEMBL134
Prediction Result:
Inactive73.94%
ADA2A_HUMAN
Docking Scores:
-5.06
-5.05
-5.02
Similarity Score:
16.28%
Best Match:
CHEMBL3289522
Prediction Result:
Inactive76.23%
ADA2B_HUMAN
Docking Scores:
-5.46
-5.12
-5.18
Similarity Score:
12.50%
Best Match:
CHEMBL289480
Prediction Result:
Active56.86%
ADA2C_HUMAN
Docking Scores:
-5.03
-5.05
-4.81
Similarity Score:
13.64%
Best Match:
CHEMBL647
Prediction Result:
Inactive58.66%
ADRB1_HUMAN
Docking Scores:
-4.91
-4.84
-4.63
Similarity Score:
8.57%
Best Match:
CHEMBL1204005
Prediction Result:
Inactive80.83%
ADRB2_HUMAN
Docking Scores:
-5.98
-4.99
-4.98
Similarity Score:
7.56%
Best Match:
CHEMBL439794
Prediction Result:
N/A
ADRB3_HUMAN
Docking Scores:
-4.83
-5.34
-4.97
Similarity Score:
7.56%
Best Match:
CHEMBL127422
Prediction Result:
N/A
AGTR2_HUMAN
Docking Scores:
-4.53
-4.54
-4.23
Similarity Score:
7.63%
Best Match:
CHEMBL3350599
Prediction Result:
N/A
BKRB2_HUMAN
Docking Scores:
-5.27
-5.44
-5.03
Similarity Score:
7.89%
Best Match:
CHEMBL1160968
Prediction Result:
Inactive95.93%
CALCR_HUMAN
Docking Scores:
-4.55
-4.70
-4.79
Similarity Score:
8.51%
Best Match:
CHEMBL4462020
Prediction Result:
Active89.56%
CCKAR_HUMAN
Docking Scores:
-4.28
-4.31
-4.73
Similarity Score:
7.30%
Best Match:
CHEMBL9387
Prediction Result:
Inactive91.49%
CCR1_HUMAN
Docking Scores:
-4.99
-5.16
-4.63
Similarity Score:
4.88%
Best Match:
CHEMBL357919
Prediction Result:
Inactive98.44%
CCR2_HUMAN
Docking Scores:
-4.50
-4.72
-4.22
Similarity Score:
5.85%
Best Match:
CHEMBL1210728
Prediction Result:
Inactive99.99%
CCR4_HUMAN
Docking Scores:
-5.16
-5.11
-4.91
Similarity Score:
3.85%
Best Match:
CHEMBL459465
Prediction Result:
Inactive85.77%
CCR5_HUMAN
Docking Scores:
-4.34
-4.32
-4.42
Similarity Score:
7.56%
Best Match:
CHEMBL492960
Prediction Result:
Inactive99.91%
CLTR1_HUMAN
Docking Scores:
-5.14
-4.77
-5.13
Similarity Score:
3.80%
Best Match:
CHEMBL3403185
Prediction Result:
Inactive98.27%
CNR1_HUMAN
Docking Scores:
-4.72
-5.64
-5.59
Similarity Score:
8.74%
Best Match:
CHEMBL515604
Prediction Result:
N/A
CNR2_HUMAN
Docking Scores:
-4.82
-5.48
Similarity Score:
8.74%
Best Match:
CHEMBL515604
Prediction Result:
N/A