Protein Symbol | Approved Name | Docking Scores |
Similarity Score |
Best Match | ||
---|---|---|---|---|---|---|
Model 1 | Model 2 | Model 3 | ||||
2A_HE71 | Genome polyprotein | -8.48 | N/A | N/A | N/A | N/A |
2A_HE71M | Genome polyprotein | -8.05 | N/A | N/A | N/A | N/A |
2C_HE71 | Genome polyprotein | -6.76 | -6.86 | N/A | N/A | N/A |
3A_9ENTO | Genome polyprotein | -6.55 | N/A | N/A | N/A | N/A |
3A_HE71M | Genome polyprotein | -7.01 | N/A | N/A | N/A | N/A |
3A_HED68 | Genome polyprotein | -7.48 | N/A | N/A | N/A | N/A |
3C_HE71 | Genome polyprotein | -7.91 | -6.81 | N/A | N/A | N/A |
3C_HED68 | Genome polyprotein | -7.66 | N/A | N/A | N/A | N/A |
3D_HE71 | Genome polyprotein | -10.06 | N/A | N/A | N/A | N/A |
3D_HED68 | Genome polyprotein | -9.90 | N/A | N/A | N/A | N/A |
ACE2_HUMAN | angiotensin converting enzyme 2 | -10.93 | N/A | N/A | 29.57% | CHEMBL1240682 |
CAPSD_9CALI | Capsid protein | -8.56 | -8.64 | -9.14 | N/A | N/A |
CAPSD_9ENTO | Genome polyprotein | -8.24 | N/A | N/A | N/A | N/A |
CAPSD_DEN2P | Genome polyprotein | -9.25 | N/A | N/A | N/A | N/A |
CAPSD_HCV77 | Genome polyprotein | -5.83 | N/A | N/A | 33.99% | CHEMBL4110357 |
CAPSD_HED68 | Capsid protein VP0 | -9.32 | -7.78 | N/A | N/A | N/A |
CAPSD_ZIKV | Core protein | -7.69 | -7.78 | N/A | N/A | N/A |
DPM_HHV1K | DNA polymerase catalytic subunit | -11.57 | N/A | N/A | 24.81% | CHEMBL479371 |
E1_9HEPC | Envelope glycoprotein E1 | -6.90 | N/A | N/A | N/A | N/A |
E1_HCV77 | Genome polyprotein | -5.36 | N/A | N/A | 33.99% | CHEMBL4110357 |
E1_HCVJ1 | Genome polyprotein | -5.88 | N/A | N/A | N/A | N/A |
E2_9HEPC | Core protein precursor | -9.38 | N/A | N/A | N/A | N/A |
E2_HCV77 | Genome polyprotein | -7.88 | N/A | N/A | 33.99% | CHEMBL4110357 |
ENV_9FLAV | Envelope protein E | -6.00 | N/A | N/A | N/A | N/A |
ENV_DEN1B | Genome polyprotein | -7.11 | N/A | N/A | N/A | N/A |
ENV_DEN2P | Genome polyprotein | -7.79 | N/A | N/A | N/A | N/A |
ENV_DEN3P | Genome polyprotein | -7.52 | N/A | N/A | N/A | N/A |
ENV_HHV2H | Envelope glycoprotein H | -8.04 | N/A | N/A | N/A | N/A |
ENV_ZIKV | Core protein | -6.91 | N/A | N/A | N/A | N/A |
ENV_ZIKVK | Genome polyprotein | -7.75 | N/A | N/A | N/A | N/A |
G1_ADNV | Envelope polyprotein | 1.22 | -7.92 | -7.90 | N/A | N/A |
G2_ADNV | Envelope polyprotein | -9.30 | -8.39 | -8.10 | N/A | N/A |
GB_HHV11 | Envelope glycoprotein B | -9.27 | N/A | N/A | N/A | N/A |
GB_HHV1K | Envelope glycoprotein B | -8.30 | -8.45 | N/A | N/A | N/A |
GD_9ALPH | Glycoprotein D | -8.91 | -6.14 | N/A | N/A | N/A |
GD_HHV1 | Glycoprotein D | -7.59 | N/A | N/A | N/A | N/A |
GP160_HIV1 | Envelope glycoprotein gp160 | -7.88 | -7.63 | -7.88 | N/A | N/A |
GP160_HIV2 | Envelope glycoprotein gp160 | -8.38 | N/A | N/A | N/A | N/A |
GP_EBOV | Envelope glycoprotein | -7.86 | -8.26 | -8.50 | 32.27% | CHEMBL3125899 |
GP_LASSJ | Pre-glycoprotein polyprotein GP complex | -7.13 | -6.83 | N/A | N/A | N/A |
HA_A-H10N7 | Hemagglutinin | -8.45 | N/A | N/A | N/A | N/A |
HA_A-H10N8 | Hemagglutinin | -8.12 | N/A | N/A | N/A | N/A |
HA_A-H13N6 | Hemagglutinin | -7.36 | N/A | N/A | N/A | N/A |
HA_A-H14N6 | Hemagglutinin | -7.93 | N/A | N/A | N/A | N/A |
HA_A-H15N9 | Hemagglutinin | -7.93 | N/A | N/A | N/A | N/A |
HA_A-H17N10 | Hemagglutinin | -7.64 | N/A | N/A | N/A | N/A |
HA_A-H18N11 | Hemagglutinin | -6.91 | N/A | N/A | N/A | N/A |
HA_A-H1N1 | Hemagglutinin | -7.81 | -7.90 | N/A | N/A | N/A |
HA_A-H2N2 | Hemagglutinin | -7.78 | -7.49 | N/A | N/A | N/A |
HA_A-H3N2 | Hemagglutinin | -7.70 | -8.15 | -7.60 | N/A | N/A |
HA_A-H3N8 | Hemagglutinin | -7.51 | -6.98 | -7.58 | N/A | N/A |
HA_A-H5N1 | Hemagglutinin | -7.56 | -7.63 | -7.22 | N/A | N/A |
HA_A-H5N3 | Hemagglutinin | -7.62 | -7.01 | N/A | N/A | N/A |
HA_A-H6N1 | Hemagglutinin | -8.12 | N/A | N/A | N/A | N/A |
HA_A-H6N6 | Hemagglutinin | -7.82 | N/A | N/A | N/A | N/A |
HA_A-H7N2 | Hemagglutinin | -7.33 | -7.33 | -7.45 | N/A | N/A |
HA_A-H7N7 | Hemagglutinin | -7.10 | -7.48 | N/A | N/A | N/A |
HA_A-H7N9 | Hemagglutinin | -9.00 | N/A | N/A | N/A | N/A |
HA_INFB | Hemagglutinin | -8.26 | -7.70 | N/A | N/A | N/A |
HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -7.72 | N/A | N/A | N/A | N/A |
HE_BCV | Hemagglutinin-esterase | -6.96 | -7.37 | N/A | N/A | N/A |
HE_HCoV-OC43 | Hemagglutinin-esterase | -7.22 | N/A | N/A | N/A | N/A |
HE_MHV | Hemagglutinin-esterase | -7.53 | N/A | N/A | N/A | N/A |
IN_HIV1 | Gag-Pol polyprotein | -7.65 | -7.33 | N/A | N/A | N/A |
MD_HKU4 | Replicase polyprotein 1ab | -7.78 | -7.48 | -7.23 | N/A | N/A |
MD_MERs | Replicase polyprotein 1a | -7.89 | -8.08 | N/A | N/A | N/A |
MEM_9FLAV | Core protein | -7.57 | N/A | N/A | N/A | N/A |
MTASE_SARS2 | Methyltransferase | -7.66 | N/A | N/A | N/A | N/A |
MTASE_SARS2 | Methyltransferase | -8.56 | N/A | N/A | N/A | N/A |
MX2_A-H5N1 | Matrix protein 2 | 11.34 | N/A | N/A | N/A | N/A |
MX_9MONO | Matrix protein VP40 | -9.67 | N/A | N/A | N/A | N/A |
MX_LASSJ | RING finger protein Z | -7.27 | N/A | N/A | N/A | N/A |
NA_A-H11N6 | Neuraminidase | -8.28 | -8.52 | -8.21 | N/A | N/A |
NA_A-H11N9 | Neuraminidase | -9.26 | -8.72 | -9.91 | N/A | N/A |
NA_A-H12N5 | Neuraminidase | -9.29 | -8.58 | -8.50 | N/A | N/A |
NA_A-H13N9 | Neuraminidase | -7.93 | N/A | N/A | N/A | N/A |
NA_A-H17N10 | Neuraminidase | -8.12 | N/A | N/A | N/A | N/A |
NA_A-H18N11 | Neuraminidase | -8.15 | N/A | N/A | N/A | N/A |
NA_A-H1N1 | Neuraminidase | -9.50 | N/A | N/A | N/A | N/A |
NA_A-H2N2 | Neuraminidase | -8.50 | -8.58 | -8.23 | N/A | N/A |
NA_A-H3N2 | Ig heavy chain Mem5 | -8.60 | -8.60 | N/A | N/A | N/A |
NA_A-H3N8 | Neuraminidase | -8.98 | -9.32 | -9.42 | 22.57% | CHEMBL4285767 |
NA_A-H5N1 | Neuraminidase | -8.65 | N/A | N/A | N/A | N/A |
NA_A-H7N9 | Neuraminidase | -9.59 | -9.87 | -9.59 | N/A | N/A |
NA_INFB | Neuraminidase | -8.55 | -8.04 | N/A | 23.18% | CHEMBL4175983 |
NP_9ADNV | Nucleoprotein | -6.42 | -8.40 | N/A | N/A | N/A |
NP_A-H1N1 | Nucleoprotein | -7.82 | -7.35 | -7.31 | N/A | N/A |
NP_A-H5N1 | Nucleoprotein | -7.28 | N/A | N/A | N/A | N/A |
NP_EBOZM | Nucleoprotein | -7.98 | -7.84 | -9.28 | N/A | N/A |
NP_HCoV-NL63 | Nucleoprotein | -8.16 | N/A | N/A | N/A | N/A |
NP_HCoV-OC43 | Nucleoprotein | -9.19 | -8.96 | -8.21 | 14.77% | CHEMBL3233481 |
NP_INFB | Nucleoprotein | -6.68 | N/A | N/A | N/A | N/A |
NP_INFD | NP | -6.45 | N/A | N/A | N/A | N/A |
NP_LASSJ | Nucleoprotein | -11.10 | -11.11 | -5.61 | N/A | N/A |
NP_SARS | Nucleoprotein | -8.55 | N/A | N/A | N/A | N/A |
NS1_9CALI | NTPase | -7.53 | -6.42 | -7.64 | N/A | N/A |
NS1_9FLAV | Non-structural protein 1 | -6.66 | N/A | N/A | N/A | N/A |
NS1_DEN1W | Genome polyprotein | -6.58 | N/A | N/A | N/A | N/A |
NS1_ZIKV | Core protein | 24.95 | -5.42 | -8.52 | N/A | N/A |
NS2A_9FLAV | Core protein | -5.55 | N/A | N/A | N/A | N/A |
NS2B_DEN1W | Genome polyprotein | -9.71 | N/A | N/A | N/A | N/A |
NS2B_DEN2P | Genome polyprotein | -7.28 | -8.67 | N/A | N/A | N/A |
NS2B_ZIKV | Genome polyprotein | -8.43 | -11.29 | N/A | N/A | N/A |
NS2B_ZIKVF | Genome polyprotein | -8.74 | N/A | N/A | N/A | N/A |
NS3_9FLAV | Core protein | -10.07 | N/A | N/A | N/A | N/A |
NS3_DEN4T | Genome polyprotein | -10.42 | -9.46 | N/A | N/A | N/A |
NS3_HCV1A | Genome polyprotein | -6.94 | -7.45 | -7.32 | 33.99% | CHEMBL4110357 |
NS3_HCV1B | Genome polyprotein | -7.91 | -7.65 | -7.39 | 23.53% | CHEMBL1170417 |
NS3_HCV3A | Genome polyprotein | -8.03 | -7.73 | -7.89 | N/A | N/A |
NS3_ZIKV | Genome polyprotein | -9.77 | N/A | N/A | N/A | N/A |
NS5B_HCV1A | Genome polyprotein | -10.49 | -10.49 | -10.46 | 36.02% | CHEMBL353549 |
NS5B_HCV1B | Genome polyprotein | -9.18 | -7.76 | -7.88 | 31.73% | CHEMBL3970609 |
NS5B_HCV2A | Genome polyprotein | -7.99 | -5.82 | N/A | 22.07% | CHEMBL3127326 |
NS5_9FLAV | Core protein | -9.32 | N/A | N/A | N/A | N/A |
NS5_DEN3S | Genome polyprotein | -9.05 | -9.29 | N/A | N/A | N/A |
NS5_ZIKV | Genome polyprotein | -9.67 | -6.07 | N/A | N/A | N/A |
NS5_ZIKVF | Genome polyprotein | -9.18 | N/A | N/A | N/A | N/A |
NS6_9CALI | NTPase | -6.69 | -6.19 | -8.17 | N/A | N/A |
NSP15_SARS | Replicase polyprotein 1ab | -7.32 | N/A | N/A | 17.84% | CHEMBL2441741 |
NSP15_SARS2 | Replicase polyprotein 1ab | -7.97 | N/A | N/A | N/A | N/A |
NSP1_INFB | Non-structural protein 1 | -7.59 | -7.29 | N/A | N/A | N/A |
NSP1_SARS | Replicase polyprotein 1ab | -5.75 | N/A | N/A | 17.84% | CHEMBL2441741 |
NSP3_HCoV-229E | Replicase polyprotein 1a | -8.47 | N/A | N/A | N/A | N/A |
NSP3_IBV | Replicase polyprotein 1a | -7.71 | N/A | N/A | N/A | N/A |
NSP3_MHV | Replicase polyprotein 1ab | -6.19 | N/A | N/A | N/A | N/A |
NSP3_SARS2 | Replicase polyprotein 1ab | -7.50 | N/A | N/A | N/A | N/A |
NSP9_HCoV-229E | Replicase polyprotein 1ab | -6.50 | -7.35 | N/A | N/A | N/A |
PA_A-H17N10 | Polymerase acidic protein | -9.24 | N/A | N/A | N/A | N/A |
PA_A-H1N1 | Polymerase acidic protein | -9.84 | -9.03 | -10.10 | N/A | N/A |
PA_A-H5N1 | Polymerase acidic protein | -10.51 | -9.67 | -9.68 | N/A | N/A |
PA_INFA | Polymerase acidic protein | -9.90 | -8.45 | -8.72 | 27.02% | CHEMBL4548583 |
PA_INFB | Polymerase acidic protein | -8.88 | N/A | N/A | N/A | N/A |
PB2_A-H3N2 | Polymerase basic protein 2 | -8.61 | -8.50 | N/A | N/A | N/A |
PB2_A-H5N1 | Polymerase basic protein 2 | -7.67 | -8.18 | -9.14 | N/A | N/A |
PB2_INFB | Polymerase basic protein 2 | -9.79 | N/A | N/A | N/A | N/A |
PB3_A-H3N2 | Polymerase basic protein 2 | -8.43 | N/A | N/A | N/A | N/A |
PB4_A-H3N2 | Polymerase basic protein 2 | -9.11 | N/A | N/A | N/A | N/A |
PLP_SARS | Replicase polyprotein 1a | -9.93 | -10.09 | -10.08 | 22.06% | CHEMBL225515 |
PLP_SARS2 | papain-like protease | -7.52 | N/A | N/A | N/A | N/A |
PM_9VIRU | RNA-directed RNA polymerase L | -8.65 | -8.35 | N/A | N/A | N/A |
PR_FCoV | Replicase polyprotein 1ab | -8.39 | N/A | N/A | 17.03% | CHEMBL4214471 |
PR_HCoV-229E | Replicase polyprotein 1a | -8.45 | -7.99 | N/A | N/A | N/A |
PR_HCoV-NL63 | Replicase polyprotein 1a | -5.31 | -8.82 | N/A | N/A | N/A |
PR_HIV1 | Gag-Pol polyprotein | -9.00 | -8.11 | -8.19 | 25.32% | CHEMBL3645127 |
PR_HIV2 | Gag-Pol polyprotein | -8.78 | -8.60 | N/A | N/A | N/A |
PR_HKU1 | Replicase polyprotein 1a | -7.10 | N/A | N/A | N/A | N/A |
PR_HKU4 | Replicase polyprotein 1ab | -7.14 | -7.61 | -7.95 | N/A | N/A |
PR_IBV | Replicase polyprotein 1a | -8.45 | N/A | N/A | N/A | N/A |
PR_MERs | 3C-like proteinase | -7.94 | -8.12 | N/A | N/A | N/A |
PR_PEDV | 3C-like proteinase | -8.83 | N/A | N/A | N/A | N/A |
PR_SARS | Replicase polyprotein 1ab | -7.92 | -7.87 | -7.80 | 17.84% | CHEMBL2441741 |
PR_SARS2 | 3C-like protease | -7.93 | N/A | N/A | N/A | N/A |
PR_TGEV | Replicase polyprotein 1a | -8.75 | N/A | N/A | N/A | N/A |
P_9CALI | Norovirus P domain protein | -6.86 | N/A | N/A | N/A | N/A |
P_NVN68 | Capsid protein VP1 | -7.24 | N/A | N/A | N/A | N/A |
RDRP_SARS2 | RNA-dependent RNA polymerase | -7.81 | N/A | N/A | 29.84% | CHEMBL4065616 |
RT_HIV1 | Gag-Pol polyprotein | -9.93 | -10.35 | -9.36 | 34.03% | CHEMBL4227326 |
SPIKE_HCoV-229E | Spike glycoprotein | -6.73 | N/A | N/A | N/A | N/A |
SPIKE_HCoV-NL63 | Spike glycoprotein | -6.85 | N/A | N/A | N/A | N/A |
SPIKE_HCoV-OC43 | Spike glycoprotein | -8.17 | N/A | N/A | N/A | N/A |
SPIKE_HKU4 | Spike glycoprotein | -8.59 | N/A | N/A | N/A | N/A |
SPIKE_IBV | Spike glycoprotein | -6.85 | N/A | N/A | N/A | N/A |
SPIKE_MERs | Spike glycoprotein | -7.79 | -8.19 | -7.01 | N/A | N/A |
SPIKE_MHV | Spike glycoprotein | -8.36 | N/A | N/A | N/A | N/A |
SPIKE_PDCoV | Spike protein | -7.54 | N/A | N/A | N/A | N/A |
SPIKE_SARS | Spike glycoprotein | -7.38 | -8.63 | N/A | N/A | N/A |
SPIKE_SARS2 | Spike glycoprotein | -7.34 | -7.55 | -8.06 | N/A | N/A |
VP1_9CALI | Capsid protein | -9.53 | N/A | N/A | N/A | N/A |
VP1_NVN68 | Capsid protein VP1 | -7.22 | N/A | N/A | N/A | N/A |
VP24_EBORE | Membrane-associated protein VP24 | -6.57 | N/A | N/A | N/A | N/A |
VP24_EBOSU | Membrane-associated protein VP24 | -6.03 | N/A | N/A | N/A | N/A |
VP24_EBOZM | Membrane-associated protein VP24 | -6.73 | N/A | N/A | N/A | N/A |
VP30_9MONO | Minor nucleoprotein VP30 | -7.59 | N/A | N/A | N/A | N/A |
VP30_EBOZ5 | Transcriptional activator VP30 | -7.54 | N/A | N/A | N/A | N/A |
VP30_EBOZM | Transcriptional activator VP30 | -7.11 | N/A | N/A | N/A | N/A |
VP35_EBORR | Polymerase cofactor VP35 | -8.01 | N/A | N/A | N/A | N/A |
VP35_EBOZM | Polymerase cofactor VP35 | -7.75 | -7.94 | -8.32 | N/A | N/A |
VP40_EBOZM | Matrix protein VP40 | -6.49 | -6.54 | N/A | N/A | N/A |