Kabi molecule #567 Output Download CSV

Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
Protein Symbol Approved Name Docking Scores Similarity
Score 		Best Match
Model 1 Model 2 Model 3
2A_HE71 Genome polyprotein -6.53 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -6.54 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -4.64 -4.93 N/A N/A N/A
3A_9ENTO Genome polyprotein -4.76 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -4.39 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -4.59 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -4.81 -5.43 N/A N/A N/A
3C_HED68 Genome polyprotein -4.28 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -5.72 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -5.58 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -6.32 N/A N/A 42.45% CHEMBL252003
CAPSD_9CALI Capsid protein -6.10 -5.20 -5.98 N/A N/A
CAPSD_9ENTO Genome polyprotein -7.02 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -5.75 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -3.73 N/A N/A 35.29% CHEMBL4107993
CAPSD_HED68 Capsid protein VP0 -6.78 -6.96 N/A N/A N/A
CAPSD_ZIKV Core protein -5.09 -4.73 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -5.86 N/A N/A 12.61% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -4.05 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -3.65 N/A N/A 35.29% CHEMBL4107993
E1_HCVJ1 Genome polyprotein -3.72 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -6.98 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -5.09 N/A N/A 35.29% CHEMBL4107993
ENV_9FLAV Envelope protein E -4.07 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -4.54 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -5.36 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -4.91 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -5.61 N/A N/A N/A N/A
ENV_ZIKV Core protein -4.62 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -4.62 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.88 -5.63 -5.55 N/A N/A
G2_ADNV Envelope polyprotein -5.87 -5.62 -4.78 N/A N/A
GB_HHV11 Envelope glycoprotein B -5.46 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -5.92 -6.03 N/A N/A N/A
GD_9ALPH Glycoprotein D -5.14 -4.69 N/A N/A N/A
GD_HHV1 Glycoprotein D -4.71 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -5.24 -4.69 -4.82 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.46 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -5.81 -5.42 -5.55 35.42% CHEMBL1655
GP_LASSJ Pre-glycoprotein polyprotein GP complex -5.31 -5.44 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -5.57 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -4.80 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.04 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -4.86 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.59 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.74 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.49 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -4.93 -4.75 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -4.86 -5.09 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.10 -5.18 -4.98 N/A N/A
HA_A-H3N8 Hemagglutinin -4.81 -5.41 -4.78 N/A N/A
HA_A-H5N1 Hemagglutinin -5.53 -5.71 -5.45 N/A N/A
HA_A-H5N3 Hemagglutinin -5.80 -5.12 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -4.80 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.09 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.21 -4.83 -5.33 N/A N/A
HA_A-H7N7 Hemagglutinin -5.36 -5.20 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.03 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.49 -5.27 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -4.51 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.85 -5.07 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.38 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -4.78 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.37 -4.47 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.22 -7.25 -6.93 N/A N/A
MD_MERs Replicase polyprotein 1a -7.19 -7.01 N/A N/A N/A
MEM_9FLAV Core protein -4.79 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.48 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.90 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -6.70 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -6.14 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -4.53 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -5.64 -5.66 -5.49 N/A N/A
NA_A-H11N9 Neuraminidase -5.82 -5.61 -5.78 N/A N/A
NA_A-H12N5 Neuraminidase -5.52 -5.82 -5.63 N/A N/A
NA_A-H13N9 Neuraminidase -5.71 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.21 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.09 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.13 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -5.80 -5.46 -5.80 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -4.91 -5.37 N/A N/A N/A
NA_A-H3N8 Neuraminidase -5.58 -5.79 -5.51 20.37% CHEMBL4281970
NA_A-H5N1 Neuraminidase -5.43 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -5.85 -5.71 -5.91 N/A N/A
NA_INFB Neuraminidase -5.82 -5.79 N/A 23.45% CHEMBL81286
NP_9ADNV Nucleoprotein -3.96 -5.97 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -4.88 -5.97 -5.94 N/A N/A
NP_A-H5N1 Nucleoprotein -5.30 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -5.38 -4.56 -4.72 N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.08 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -6.85 -6.04 -6.10 9.52% CHEMBL3233481
NP_INFB Nucleoprotein -4.03 N/A N/A N/A N/A
NP_INFD NP -3.98 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -7.29 -7.39 -3.97 N/A N/A
NP_SARS Nucleoprotein -5.36 N/A N/A N/A N/A
NS1_9CALI NTPase -5.43 -4.56 -4.89 N/A N/A
NS1_9FLAV Non-structural protein 1 -5.46 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -4.67 N/A N/A N/A N/A
NS1_ZIKV Core protein -6.83 -6.16 -5.13 N/A N/A
NS2A_9FLAV Core protein -3.90 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -5.33 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -6.02 -5.43 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -5.47 -5.69 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -4.93 N/A N/A N/A N/A
NS3_9FLAV Core protein -5.80 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -6.16 -5.32 N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.09 -5.34 -5.68 35.29% CHEMBL4107993
NS3_HCV1B Genome polyprotein -5.42 -5.90 -5.45 18.64% CHEMBL1170408
NS3_HCV3A Genome polyprotein -5.34 -5.43 -5.44 N/A N/A
NS3_ZIKV Genome polyprotein -5.33 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -5.67 -6.29 -6.22 40.57% CHEMBL446360
NS5B_HCV1B Genome polyprotein -5.85 -5.63 -5.46 18.72% CHEMBL3645180
NS5B_HCV2A Genome polyprotein -6.71 -6.41 N/A 22.70% CHEMBL3127326
NS5_9FLAV Core protein -5.81 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -5.11 -6.04 N/A N/A N/A
NS5_ZIKV Genome polyprotein -5.89 -4.99 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -5.84 N/A N/A N/A N/A
NS6_9CALI NTPase -3.90 -5.31 -4.85 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.51 N/A N/A 28.36% CHEMBL471187
NSP15_SARS2 Replicase polyprotein 1ab -5.22 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -4.44 -4.71 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -4.77 N/A N/A 28.36% CHEMBL471187
NSP3_HCoV-229E Replicase polyprotein 1a -6.90 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.09 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.30 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -5.56 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.38 -5.45 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -5.36 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -5.53 -5.65 -5.63 N/A N/A
PA_A-H5N1 Polymerase acidic protein -5.65 -5.63 -6.03 N/A N/A
PA_INFA Polymerase acidic protein -6.18 -5.35 -5.95 40.45% CHEMBL3600947
PA_INFB Polymerase acidic protein -5.32 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -5.99 -6.20 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -5.33 -6.01 -6.21 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.21 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.20 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.13 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -6.36 -7.06 -6.37 26.96% CHEMBL222735
PLP_SARS2 papain-like protease -4.88 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -5.29 -5.56 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -5.68 N/A N/A 22.30% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -5.31 -5.05 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.63 -5.76 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.18 -5.33 -5.63 23.90% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -5.93 -5.13 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.32 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -4.93 -5.12 -5.21 N/A N/A
PR_IBV Replicase polyprotein 1a -5.17 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -5.30 -5.35 N/A N/A N/A
PR_PEDV 3C-like proteinase -5.01 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.12 -5.62 -5.46 28.36% CHEMBL471187
PR_SARS2 3C-like protease -4.97 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -5.44 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -6.29 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -4.52 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.34 N/A N/A 13.60% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -7.10 -7.28 -7.32 28.71% CHEMBL3775172
SPIKE_HCoV-229E Spike glycoprotein -4.08 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.30 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.07 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -5.33 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -4.99 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.33 -4.79 -4.27 N/A N/A
SPIKE_MHV Spike glycoprotein -5.18 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -4.87 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.68 -5.51 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.56 -4.55 -5.30 N/A N/A
VP1_9CALI Capsid protein -6.15 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -4.46 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -4.55 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -3.61 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -4.31 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -4.86 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -5.33 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -5.38 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -5.11 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -4.72 -5.53 -4.76 N/A N/A
VP40_EBOZM Matrix protein VP40 -4.30 -4.25 N/A N/A N/A