Screening parameters
Database lowest identity:
30%
Number of poses per ligands:
20
Anchor weight:
0
Binding site flexible side-chains:
No
Template selection method:
Tanimoto
Number of targets:
87
Number of PDB entries:
435
Results access table
Protein
Nb. Ligands
Ligands
PDBIDs
Virtual Screen URL
ACK1
2
R7P
WTP
6VQM
7KP6
Screening results
ALK
5
25J
F8R
VRM
VTA
VTD
7R7K
7BTT
7JYT
7JYR
7JYS
Screening results
ARBK1
3
8DS
W4D
W4G
7PWD
7K7L
7K7Z
Screening results
AURKA
4
5YZ
S9H
S9K
V0K
7FIC
7AYH
7AYI
7O2V
Screening results
BRAF
8
0LI
215
5I4
CHU
QOP
V1Y
V5J
VQP
6P3D
7MFF
7P3V
7MFD
6V34
6XFP
6XLO
7K0V
Screening results
BTK
22
0B0
0B9
0BG
0BQ
0GW
0UW
2IE
2IJ
NXT
RQS
S5M
S9A
TKY
TL7
X9J
X9M
X9P
X9S
X9V
X9Y
YD7
YDA
7N4S
7N4Q
7N4R
7N5O
7N5X
7N5R
7R60
7R61
6TUH
6VXQ
6W06
6W07
6W8I
6W7O
7KXL
7KXM
7KXN
7KXO
7KXP
7KXQ
7LTY
7LTZ
Screening results
CDK12
1
UUB
7NXK
Screening results
CDK2
9
3I3
7TW
80E
D5P
R7B
STU
T1T
WG1
YOS
7RA5
7RWF
7RXO
7QHL
7ACK
7NVQ
7B7S
7KJS
7M2F
Screening results
CDK5
4
61U
63I
64V
65L
7VDS
7VDR
7VDQ
7VDP
Screening results
CDK7
3
AGS
I74
V0G
6XBZ
7B5Q
6XD3
Screening results
CDK8
2
JRE
NZ8
6Y0A
6TPA
Screening results
CLK1
3
06N
RH8
V5T
7OPG
7AK3
7O9Y
Screening results
CSF1R
2
UF4
Z6V
6WXJ
7MFC
Screening results
CSK21
15
42J
E3U
NKB
NKZ
NL2
ON6
QWN
QWW
QXW
QY2
RXE
S8W
S92
TBS
Y49
7AT5
6L23
6TLO
6TLW
6TLS
7L1X
7A49
7A4C
7A4B
7A4Q
7AT5
7AYA
7AY9
6TLL
7BU4
Screening results
CSK22
5
QWN
QWW
QX2
QXW
RXE
7A1Z
7A22
7A2H
7A1B
7ATV
Screening results
CSKP
4
V5W
V62
V6B
V6E
7OAI
7OAL
7OAK
7OAJ
Screening results
DAPK1
2
PIT
STL
7CCV
7CCU
Screening results
DCLK1
3
X7Y
X8J
XBD
7KX6
7KX8
7KXW
Screening results
DDR1
10
1IF
1IJ
1IM
1IW
1IZ
1JI
1K2
3UI
TBK
TJW
5SAU
5SAY
5SAX
5SAZ
5SB0
5SB1
5SB2
7FEH
7BCM
7BE6
Screening results
DYR1A
35
39I
4VZ
4WD
6SD
6ZV
ANP
EKU
MFR
OPW
QY8
QYB
QYE
QYH
QYK
QYW
QYZ
QZ2
QZW
R05
RHH
RHT
RHW
RHZ
RJ2
RJ5
RJ8
RJZ
RK2
RK5
RK8
RKH
RKK
RKQ
RKW
RKZ
7OY6
7FHS
7FHT
7A4Z
7O7K
7A4O
6LN1
7A5B
6YF8
7A4R
7A52
7A4S
7A4W
7A51
7A5D
7A53
7A55
7A5L
7A5N
7AK2
7AJ7
7AJ5
7AJ4
7AJA
7AJ2
7AJ8
7AKB
7AKA
7AKL
7AKE
7AJS
7AJV
7AJW
7AJM
7AJY
Screening results
DYRK2
13
H5R
H7C
H7F
H7L
H7O
H7R
H7U
H7X
H80
H96
H99
RK5
RK8
7DG4
7DH3
7DH9
7DHH
7DHK
7DHN
7DHO
7DHV
7DJO
7DL6
7DHC
7AKF
7AKH
Screening results
EGFR
26
35Z
57N
6GY
7G9
7VH
8BS
9LL
EUX
I0A
JAU
JBJ
NQ1
Q6K
QCR
QFO
R1W
R28
R2E
R85
TOV
TQA
UEJ
VNS
VO7
XA4
YY3
7OXB
7A2A
7AEM
7A2A
7VRE
6Z4D
6Z4B
6LUB
7VRA
7ER2
7JXP
6XL4
6Z4B
8D73
8D76
7A6I
7A6K
7A6J
7AEI
6WA2
6WAK
6WXN
7JXW
7JXL
7KY0
7JXM
Screening results
EPHB1
1
CTC
6UMW
Screening results
ERBB2
1
VOY
7JXH
Screening results
ERN1
8
N8S
N94
N97
SJG
SJM
SJS
SJV
U4N
6XDB
6XDF
6XDD
6W39
6W3A
6W3K
6W3E
7BMK
Screening results
FAK1
6
P4N
P7N
P9K
PKE
PVT
Q2H
6YOJ
6YQ1
6YR9
6YT6
6YVS
6YXV
Screening results
FGFR3
1
H6X
7DHL
Screening results
FGFR4
3
7IF
90F
GX3
7VJL
7WCW
7F3M
Screening results
GSK3B
7
39I
L7C
L7I
L7R
L7W
N1Q
SZW
7OY5
7U2Z
7U31
7U33
7U36
6TCU
7B6F
Screening results
HASP
3
07C
A5G
S1Z
7OPS
7SQM
7AVQ
Screening results
HIPK2
1
U82
7NCF
Screening results
HIPK3
1
6ZV
7O7J
Screening results
IRAK4
11
B4U
B6I
B7R
B8I
EXF
FJ0
N9Z
NB5
NBK
NBW
SO9
7QG3
7QG2
7QG5
7QG1
6LXY
7C2V
6THX
6THZ
6THW
6TI8
8DKS
Screening results
JAK2
30
2TA
36H
3JW
4LY
5W2
9HR
9I2
9I5
9I8
E3W
E8I
OV0
R5S
R5Y
R61
R6M
R6P
R6S
R6V
RG4
RXT
U8J
U8P
UWP
V4D
VPJ
VPS
XZS
Y5D
Y5G
6VNE
7F7W
6VN8
7REE
6VNL
7Q7W
7Q7L
7Q7K
7Q7I
7T0P
7T1T
7UYW
6VNJ
6VNM
6VNI
6VNG
6VNB
6VNF
6VS3
6VSN
6WTN
6WTQ
6WTP
6X8E
6XJK
7JYQ
7JYO
6VNH
7LL4
7LL5
Screening results
JAK3
1
OV5
7UYV
Screening results
KC1D
2
ADN
AMP
7P7F
7P7G
Screening results
KGP1
2
ANP
B4I
7LV3
7SSB
Screening results
KIT
3
P31
WEG
WEJ
7KHG
7KHJ
7KHK
Screening results
KKCC2
2
FSC
OD8
6Y4K
6Y6B
Screening results
KS6A3
1
ANP
7OPO
Screening results
KS6B1
2
1RJ
1SK
7N91
7N93
Screening results
KSR2
1
ADP
7JUQ
Screening results
KSYK
8
5JG
LUE
QDZ
QF8
QFB
QFE
QFK
QFQ
6ZCR
6SSB
6ZC0
6ZCY
6ZCQ
6ZCS
6ZCP
6ZCX
Screening results
LIMK1
3
LH0
RXN
RXQ
8AAU
7ATU
7ATS
Screening results
LIMK2
1
T3B
7QHG
Screening results
LRRK2
2
ATP
GDP
7LI3
7LHW
Screening results
M3K5
1
RFG
7MU7
Screening results
M3K7
2
URW
UWZ
7NTH
7NTI
Screening results
M4K1
11
2TR
2WI
2YE
9ID
W9D
XHM
XHS
XHV
YK1
YK4
YK7
7R9T
7R9P
7R9L
7SIU
7KAC
7L26
7L25
7L24
7M0M
7M0L
7M0K
Screening results
MAPK2
1
MW8
6T8X
Screening results
MARK3
1
V5E
7P1L
Screening results
MERTK
19
C6F
E56
R6H
R6K
R6N
S4E
S4K
S4N
S4Q
S4T
S4W
S4Z
S5E
V6H
VJZ
VK2
VK5
YDJ
YR7
7AB1
7DXL
7AAX
7AAZ
7AB2
7AVY
7AVX
7AVZ
7AW0
7AW1
7AW2
7AW3
7AW4
7OAM
7OLS
7OLV
7OLX
7CQE
7M5Z
Screening results
MET
14
5I9
5IE
MDI
N0U
SV5
SV8
SVH
SVK
SVT
SW5
SW8
SWB
SWK
SWN
7V3S
7V3R
8ANS
8AN8
7B3Q
7B3Z
7B3W
7B3T
7B44
7B43
7B42
7B3V
7B41
7B40
Screening results
MK01
7
RYW
UMN
UNW
UO5
UOE
UOH
UOW
7AUV
7NQQ
7NQW
7NR3
7NR8
7NR5
7NR9
Screening results
MK06
3
OWQ
OXW
OYB
6YKY
6YLC
6YLL
Screening results
MK10
5
0G3
86C
X3S
X3V
X3Y
7ORF
7S1N
7KSI
7KSK
7KSJ
Screening results
MP2K6
1
AP2
8A8M
Screening results
MP2K7
6
1XZ
21I
24N
2GI
2I5
2I8
7OVL
7OVM
7OVJ
7OVI
7OVK
7OVN
Screening results
NTRK1
1
FKT
7XAF
Screening results
PAK4
3
G5X
GC6
GCC
7CMB
7CP3
7CP4
Screening results
PIM1
4
E2X
I4M
ROY
WFY
6L17
7XSV
6VRU
6VRV
Screening results
PK3CA
8
1LT
KVJ
VBS
VXY
VY1
VY4
VYP
ZHY
7PG6
7TZ7
7JIU
7K6M
7K6O
7K6N
7K71
7MLK
Screening results
PK3CD
3
VBS
Y5Y
YA7
7JIS
7LM2
7LQ1
Screening results
PK3CG
7
IGJ
V7Y
V81
V84
VL1
VLV
WJV
7Z61
6XRL
6XRM
6XRN
7JWE
7JX0
7KKE
Screening results
PMYT1
4
QG5
QGI
QGR
QGY
8D6F
8D6E
8D6C
8D6D
Screening results
RIOK2
1
5ZH
7VBT
Screening results
RIPK1
3
3IF
3IU
HYP
7FCZ
7FD0
7CJB
Screening results
RIPK3
2
ZL1
ZOV
7MON
7MX3
Screening results
ROCK1
1
VFS
7JOU
Screening results
ROCK2
3
5YS
VFA
VFS
7P6N
7JNT
7JOV
Screening results
ROS1
1
IDW
7Z5W
Screening results
SGK1
1
86H
7PUE
Screening results
SRC
1
UCW
7NG7
Screening results
SRPK1
1
80H
7PQS
Screening results
ST17A
2
F7I
F8I
7QUE
7QUF
Screening results
ST17B
1
38O
7AKG
Screening results
STK10
1
DJ8
7QGP
Screening results
STK24
5
SQ8
SQB
SQE
SQK
SQQ
7B31
7B35
7B33
7B34
7B32
Screening results
STK25
1
IB5
7Z4V
Screening results
TGFR2
1
HJF
7DV6
Screening results
TNI3K
2
ZFS
ZGD
7MGJ
7MGK
Screening results
TTBK1
4
9IO
9IV
VP7
VSY
7Q8W
7Q8V
7JXX
7JXY
Screening results
TTBK2
3
9IK
9IS
9IV
7Q8Z
7Q90
7Q8Y
Screening results
TTK
6
FZF
FZL
FZO
FZR
G0U
G5C
7CHM
7CHN
7CHT
7CIL
7CJA
7CLH
Screening results
TYK2
9
NM7
OV0
OV5
OVC
OVI
UWM
UWP
VZG
VZJ
7AX4
7UYU
7UYT
7UYS
7UYR
6X8G
6X8F
7K7Q
7K7O
Screening results
VRK1
2
RTJ
VBD
6VXU
6VXU
Screening results
WEE1
1
05J
7N3U
Screening results