Receptor
PDB id Resolution Class Description Source Keywords
6GUC 2 Å EC: 2.7.11.22 CDK2/CYCLINA IN COMPLEX WITH SU9516 HOMO SAPIENS CDK2 CYCLINA INHIBITOR CELL CYCLE
Ref.: DIFFERENCES IN THE CONFORMATIONAL ENERGY LANDSCAPE AND CDK2 SUGGEST A MECHANISM FOR ACHIEVING SELECTIV INHIBITION. CELL CHEM BIOL V. 26 121 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SU9 A:301;
C:301;
 Valid;
Valid;
 none;
none;
 Kd = 25 nM
241.245 C13 H11 N3 O2 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BPM 2.4 Å EC: 2.7.11.22 STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529 HOMO SAPIENS PROTEIN KINASE TRANSFERASE SERINE/THREONINE-PROTEIN KINASEPHOSPHORYLATION CELL DIVISION CYCLIN
Ref.: 3-AMINOPYRAZOLE INHIBITORS OF CDK2-CYCLIN A AS ANTI AGENTS. 2. LEAD OPTIMIZATION J.MED.CHEM. V. 48 2944 2005
Members (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4CFN ic50 = 49 uM JYM C13 H16 F3 N5 O C1CCC(CC1)....
2 3BHU ic50 = 0.003 uM MHR C14 H15 N5 O CCCOc1ccnc....
3 1E9H ic50 = 35 nM INR C16 H10 N2 O5 S c1ccc2c(c1....
4 4EOL - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
5 1OIU ic50 = 0.21 uM N76 C18 H22 N6 O3 S c1cc(cc(c1....
6 3BHV ic50 = 0.08 uM VAR C14 H11 N7 O c1cnc(n2c1....
7 4EOQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 2G9X ic50 = 45 nM NU5 C23 H32 N6 O4 S c1cc(ccc1N....
9 3MY5 ic50 = 65 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
10 1P5E - TBS C6 H Br4 N3 c12c(c(c(c....
11 2IW6 ic50 = 0.14 uM QQ2 C24 H27 Cl N6 O2 Cc1ccc(c(c....
12 1OKV ic50 = 0.68 uM ARG ARG LEU ILE PHE NH2 n/a n/a
13 1H1R ic50 = 2.3 uM 6CP C18 H20 Cl N5 O c1cc(cc(c1....
14 1OKW ic50 = 5.6 uM ACE ARG ARG LEU ASN FCL NH2 n/a n/a
15 1OI9 ic50 = 69 nM N20 C18 H21 N5 O2 c1cc(ccc1N....
16 4EON - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
17 4EOJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 2UZE ic50 = 47 uM C95 C15 H10 N2 O4 S [H]/N=C/1N....
19 1PKD - UCN C28 H26 N4 O4 C[C@@]12[C....
20 4CFV ic50 = 23.5 uM 75X C19 H23 N5 O2 Cc1c(cccc1....
21 6GUC Kd = 25 nM SU9 C13 H11 N3 O2 COc1ccc2c(....
22 3BHT ic50 = 0.011 uM MFR C12 H11 N5 O COc1ccnc2c....
23 2IW8 ic50 = 103 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
24 4BCO Ki = 0.131 uM T6Q C23 H26 N8 O S Cc1c(sc(n1....
25 2UUE ic50 = 1.3 uM ARG LEU ILE PFF NH2 GVC n/a n/a
26 1FIN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 4EOI - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
28 4II5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1VYW ic50 = 37 nM 292 C18 H17 N3 O c1ccc2cc(c....
30 2UZL ic50 = 0.61 uM C94 C15 H10 F3 N3 O4 S2 [H]/N=C/1N....
31 1H24 Kd = 0.5 uM PRO VAL LYS ARG ARG LEU ASP LEU GLU n/a n/a
32 1H1Q ic50 = 1 uM 2A6 C18 H21 N5 O c1ccc(cc1)....
33 3DDQ ic50 = 0.21 uM RRC C19 H26 N6 O CC[C@H](CO....
34 2WEV ic50 = 30 uM ACE ARG ARG B3L MEA NH2 n/a n/a
35 1OIY ic50 = 64 nM N41 C19 H22 N6 O2 c1cc(ccc1C....
36 4I3Z Kd = 51.3 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
38 6GVA ic50 = 5 nM FCQ C22 H25 N7 S CC(C)c1c2c....
39 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
40 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
41 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
42 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
43 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
44 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
45 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
46 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
47 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
48 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
49 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
50 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
51 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
52 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
53 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
55 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
56 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
57 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
70% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4CFN ic50 = 49 uM JYM C13 H16 F3 N5 O C1CCC(CC1)....
2 3BHU ic50 = 0.003 uM MHR C14 H15 N5 O CCCOc1ccnc....
3 1E9H ic50 = 35 nM INR C16 H10 N2 O5 S c1ccc2c(c1....
4 4EOL - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
5 1OIU ic50 = 0.21 uM N76 C18 H22 N6 O3 S c1cc(cc(c1....
6 3BHV ic50 = 0.08 uM VAR C14 H11 N7 O c1cnc(n2c1....
7 4EOQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 2G9X ic50 = 45 nM NU5 C23 H32 N6 O4 S c1cc(ccc1N....
9 3MY5 ic50 = 65 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
10 1P5E - TBS C6 H Br4 N3 c12c(c(c(c....
11 2IW6 ic50 = 0.14 uM QQ2 C24 H27 Cl N6 O2 Cc1ccc(c(c....
12 1OKV ic50 = 0.68 uM ARG ARG LEU ILE PHE NH2 n/a n/a
13 1H1R ic50 = 2.3 uM 6CP C18 H20 Cl N5 O c1cc(cc(c1....
14 1OKW ic50 = 5.6 uM ACE ARG ARG LEU ASN FCL NH2 n/a n/a
15 1OI9 ic50 = 69 nM N20 C18 H21 N5 O2 c1cc(ccc1N....
16 4EON - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
17 4EOJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 2UZE ic50 = 47 uM C95 C15 H10 N2 O4 S [H]/N=C/1N....
19 1PKD - UCN C28 H26 N4 O4 C[C@@]12[C....
20 4CFV ic50 = 23.5 uM 75X C19 H23 N5 O2 Cc1c(cccc1....
21 6GUC Kd = 25 nM SU9 C13 H11 N3 O2 COc1ccc2c(....
22 3BHT ic50 = 0.011 uM MFR C12 H11 N5 O COc1ccnc2c....
23 2IW8 ic50 = 103 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
24 4BCO Ki = 0.131 uM T6Q C23 H26 N8 O S Cc1c(sc(n1....
25 2UUE ic50 = 1.3 uM ARG LEU ILE PFF NH2 GVC n/a n/a
26 1FIN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 4EOI - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
28 4II5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1VYW ic50 = 37 nM 292 C18 H17 N3 O c1ccc2cc(c....
30 2UZL ic50 = 0.61 uM C94 C15 H10 F3 N3 O4 S2 [H]/N=C/1N....
31 1H24 Kd = 0.5 uM PRO VAL LYS ARG ARG LEU ASP LEU GLU n/a n/a
32 1H1Q ic50 = 1 uM 2A6 C18 H21 N5 O c1ccc(cc1)....
33 3DDQ ic50 = 0.21 uM RRC C19 H26 N6 O CC[C@H](CO....
34 2WEV ic50 = 30 uM ACE ARG ARG B3L MEA NH2 n/a n/a
35 1OIY ic50 = 64 nM N41 C19 H22 N6 O2 c1cc(ccc1C....
36 4I3Z Kd = 51.3 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
38 6GVA ic50 = 5 nM FCQ C22 H25 N7 S CC(C)c1c2c....
39 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
40 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
41 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
42 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
43 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
44 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
45 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
46 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
47 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
48 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
49 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
50 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
51 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
52 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
53 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
55 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
56 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
57 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4CFN ic50 = 49 uM JYM C13 H16 F3 N5 O C1CCC(CC1)....
2 3BHU ic50 = 0.003 uM MHR C14 H15 N5 O CCCOc1ccnc....
3 1E9H ic50 = 35 nM INR C16 H10 N2 O5 S c1ccc2c(c1....
4 4EOL - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
5 1OIU ic50 = 0.21 uM N76 C18 H22 N6 O3 S c1cc(cc(c1....
6 3BHV ic50 = 0.08 uM VAR C14 H11 N7 O c1cnc(n2c1....
7 4EOQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 2G9X ic50 = 45 nM NU5 C23 H32 N6 O4 S c1cc(ccc1N....
9 3MY5 ic50 = 65 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
10 1P5E - TBS C6 H Br4 N3 c12c(c(c(c....
11 2IW6 ic50 = 0.14 uM QQ2 C24 H27 Cl N6 O2 Cc1ccc(c(c....
12 1OKV ic50 = 0.68 uM ARG ARG LEU ILE PHE NH2 n/a n/a
13 1H1R ic50 = 2.3 uM 6CP C18 H20 Cl N5 O c1cc(cc(c1....
14 1OKW ic50 = 5.6 uM ACE ARG ARG LEU ASN FCL NH2 n/a n/a
15 1OI9 ic50 = 69 nM N20 C18 H21 N5 O2 c1cc(ccc1N....
16 4EON - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
17 4EOJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 2UZE ic50 = 47 uM C95 C15 H10 N2 O4 S [H]/N=C/1N....
19 1PKD - UCN C28 H26 N4 O4 C[C@@]12[C....
20 4CFV ic50 = 23.5 uM 75X C19 H23 N5 O2 Cc1c(cccc1....
21 6GUC Kd = 25 nM SU9 C13 H11 N3 O2 COc1ccc2c(....
22 3BHT ic50 = 0.011 uM MFR C12 H11 N5 O COc1ccnc2c....
23 2IW8 ic50 = 103 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
24 4BCO Ki = 0.131 uM T6Q C23 H26 N8 O S Cc1c(sc(n1....
25 2UUE ic50 = 1.3 uM ARG LEU ILE PFF NH2 GVC n/a n/a
26 1FIN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 4EOI - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
28 4II5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1VYW ic50 = 37 nM 292 C18 H17 N3 O c1ccc2cc(c....
30 2UZL ic50 = 0.61 uM C94 C15 H10 F3 N3 O4 S2 [H]/N=C/1N....
31 1H24 Kd = 0.5 uM PRO VAL LYS ARG ARG LEU ASP LEU GLU n/a n/a
32 1H1Q ic50 = 1 uM 2A6 C18 H21 N5 O c1ccc(cc1)....
33 3DDQ ic50 = 0.21 uM RRC C19 H26 N6 O CC[C@H](CO....
34 2WEV ic50 = 30 uM ACE ARG ARG B3L MEA NH2 n/a n/a
35 1OIY ic50 = 64 nM N41 C19 H22 N6 O2 c1cc(ccc1C....
36 4I3Z Kd = 51.3 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
38 6GVA ic50 = 5 nM FCQ C22 H25 N7 S CC(C)c1c2c....
39 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
40 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
41 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
42 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
43 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
44 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
45 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
46 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
47 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
48 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
49 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
50 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
51 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
52 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
53 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
55 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
56 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
57 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SU9; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SU9 1 1
2 X2L 0.4 0.822222
Similar Ligands (3D)
Ligand no: 1; Ligand: SU9; Similar ligands found: 356
No: Ligand Similarity coefficient
1 34L 0.9810
2 39Z 0.9500
3 ET0 0.9484
4 2LW 0.9391
5 0H5 0.9366
6 KMP 0.9365
7 0SX 0.9336
8 57D 0.9305
9 ML2 0.9292
10 2UD 0.9245
11 BHF 0.9236
12 QUE 0.9228
13 DDC 0.9212
14 3JC 0.9198
15 3WL 0.9164
16 ML1 0.9154
17 X2M 0.9137
18 HWH 0.9130
19 9XZ 0.9129
20 HWB 0.9128
21 ASE 0.9125
22 TVC 0.9120
23 CC6 0.9114
24 AGI 0.9105
25 FX5 0.9105
26 GQZ 0.9102
27 8RK 0.9100
28 JHY 0.9093
29 517 0.9092
30 YE7 0.9088
31 5KN 0.9080
32 AJ1 0.9080
33 69W 0.9075
34 272 0.9072
35 TCR 0.9070
36 5E5 0.9065
37 1AJ 0.9064
38 6XC 0.9055
39 Q92 0.9054
40 5B2 0.9052
41 4UB 0.9052
42 LIG 0.9050
43 PIQ 0.9050
44 XEZ 0.9049
45 O9Q 0.9046
46 FSE 0.9036
47 BL6 0.9030
48 LI7 0.9027
49 SNJ 0.9026
50 0DF 0.9025
51 MRI 0.9023
52 O9Z 0.9018
53 KXN 0.9014
54 47V 0.9005
55 O9T 0.9004
56 18E 0.9000
57 1FE 0.8999
58 22T 0.8999
59 28S 0.8993
60 52F 0.8993
61 PZX 0.8992
62 108 0.8991
63 SAK 0.8990
64 6DH 0.8987
65 BU7 0.8985
66 DX7 0.8980
67 NWD 0.8980
68 JVD 0.8979
69 NAR 0.8967
70 M9N 0.8966
71 BRY 0.8966
72 1R5 0.8966
73 Q7U 0.8964
74 27M 0.8960
75 FC2 0.8958
76 GUS 0.8953
77 EV2 0.8952
78 YZ9 0.8950
79 C4E 0.8947
80 A9B 0.8946
81 DXK 0.8946
82 J38 0.8942
83 IQ5 0.8941
84 DX2 0.8940
85 5NN 0.8940
86 2GQ 0.8939
87 3DE 0.8939
88 362 0.8935
89 4AU 0.8934
90 F40 0.8934
91 YE6 0.8932
92 6B5 0.8929
93 E3U 0.8925
94 CWE 0.8925
95 5TZ 0.8920
96 IDZ 0.8918
97 DFV 0.8917
98 SGW 0.8913
99 JGY 0.8912
100 7L4 0.8911
101 6DQ 0.8910
102 MUX 0.8909
103 LU2 0.8908
104 AO 0.8908
105 K8W 0.8906
106 MYC 0.8905
107 A05 0.8904
108 3GX 0.8902
109 KM2 0.8901
110 DQH 0.8900
111 6JO 0.8899
112 BUX 0.8896
113 2QU 0.8893
114 IQZ 0.8893
115 V2Z 0.8892
116 761 0.8892
117 PRL 0.8889
118 II4 0.8888
119 DH2 0.8886
120 KWB 0.8880
121 MIL 0.8877
122 CUE 0.8876
123 UN9 0.8874
124 DT7 0.8872
125 HH6 0.8870
126 A73 0.8870
127 BJ4 0.8865
128 WLH 0.8865
129 K4T 0.8863
130 KLV 0.8862
131 A0O 0.8860
132 6TJ 0.8860
133 7G2 0.8859
134 Q8G 0.8859
135 40N 0.8855
136 YEX 0.8854
137 1V1 0.8853
138 RAY 0.8852
139 4UM 0.8849
140 1XS 0.8847
141 BL7 0.8847
142 Q8D 0.8845
143 2JX 0.8844
144 4RG 0.8844
145 1HP 0.8843
146 1Q4 0.8843
147 20D 0.8843
148 X8E 0.8839
149 P4L 0.8838
150 OPA 0.8837
151 M6Z 0.8836
152 8CC 0.8836
153 0UL 0.8830
154 1CE 0.8825
155 3XL 0.8825
156 64F 0.8825
157 5C1 0.8822
158 1V3 0.8821
159 S7D 0.8820
160 AH3 0.8819
161 6JM 0.8819
162 DFL 0.8815
163 9JT 0.8815
164 FHV 0.8814
165 LF5 0.8812
166 KWV 0.8811
167 2JK 0.8811
168 1EL 0.8810
169 4HG 0.8809
170 6QT 0.8806
171 CX4 0.8804
172 LR2 0.8803
173 3AK 0.8800
174 0MB 0.8798
175 RGK 0.8797
176 7LU 0.8796
177 HRM 0.8794
178 U14 0.8789
179 245 0.8786
180 3F4 0.8786
181 NU3 0.8785
182 5F8 0.8784
183 FER 0.8781
184 KU1 0.8781
185 NKI 0.8779
186 9BF 0.8779
187 OTA 0.8777
188 25F 0.8775
189 1V4 0.8775
190 NIF 0.8774
191 3D8 0.8774
192 MYU 0.8774
193 49P 0.8774
194 HKK 0.8773
195 OAI 0.8773
196 D25 0.8773
197 JWS 0.8770
198 BL4 0.8769
199 5WT 0.8768
200 E9L 0.8763
201 RSV 0.8762
202 SZ5 0.8760
203 2QV 0.8760
204 AP6 0.8760
205 DTQ 0.8760
206 CKA 0.8759
207 K6N 0.8758
208 QR2 0.8757
209 AMR 0.8756
210 Q4G 0.8756
211 Q9T 0.8756
212 IOP 0.8755
213 8G6 0.8754
214 5P3 0.8752
215 T34 0.8752
216 5SJ 0.8751
217 19E 0.8750
218 3SU 0.8750
219 14I 0.8749
220 W8L 0.8743
221 3C5 0.8740
222 CDJ 0.8738
223 6FX 0.8738
224 5FL 0.8735
225 TRP 0.8735
226 M3W 0.8734
227 4ZF 0.8732
228 X0T 0.8732
229 7FU 0.8731
230 H2W 0.8730
231 S62 0.8729
232 JY2 0.8728
233 BIT 0.8725
234 LNN 0.8723
235 Q5M 0.8721
236 774 0.8721
237 AXX 0.8720
238 J8G 0.8719
239 COL 0.8718
240 CZ0 0.8717
241 97K 0.8715
242 79X 0.8714
243 4CN 0.8714
244 AIQ 0.8708
245 RDT 0.8704
246 NRA 0.8702
247 VM1 0.8700
248 OUA 0.8698
249 6C8 0.8698
250 B4L 0.8698
251 S0J 0.8695
252 FNT 0.8691
253 VT3 0.8688
254 0FR 0.8687
255 1ZC 0.8686
256 M78 0.8686
257 ZRK 0.8684
258 ESM 0.8684
259 HC8 0.8684
260 4G2 0.8680
261 OUG 0.8679
262 9KZ 0.8679
263 NAL 0.8677
264 DK1 0.8677
265 1FL 0.8675
266 9CE 0.8673
267 L3L 0.8670
268 D26 0.8669
269 3TI 0.8669
270 2P3 0.8668
271 H35 0.8663
272 ZRL 0.8660
273 NZ4 0.8660
274 DBF 0.8657
275 2PW 0.8655
276 0SY 0.8655
277 SRO 0.8653
278 GNJ 0.8653
279 62D 0.8649
280 AZY 0.8647
281 4Z9 0.8646
282 JCZ 0.8646
283 LL1 0.8645
284 FT6 0.8643
285 HUL 0.8642
286 IRH 0.8641
287 78P 0.8640
288 6JP 0.8639
289 INR 0.8638
290 P9I 0.8638
291 36I 0.8638
292 CL9 0.8637
293 SQM 0.8636
294 P83 0.8636
295 S7P 0.8633
296 P7V 0.8631
297 AZN 0.8625
298 ZSP 0.8624
299 HRD 0.8623
300 GJK 0.8621
301 68B 0.8620
302 5WK 0.8620
303 ZEA 0.8617
304 DX8 0.8615
305 MT6 0.8614
306 SSY 0.8613
307 RHN 0.8612
308 EMU 0.8609
309 RF2 0.8609
310 CDY 0.8608
311 A63 0.8607
312 UUL 0.8607
313 BSV 0.8607
314 U12 0.8605
315 FCW 0.8605
316 H4B 0.8604
317 GNG 0.8604
318 96Z 0.8603
319 GNV 0.8603
320 KF5 0.8602
321 0RY 0.8601
322 OA1 0.8600
323 0LO 0.8600
324 36K 0.8599
325 7M2 0.8596
326 OAQ 0.8592
327 64E 0.8592
328 833 0.8590
329 363 0.8587
330 BBP 0.8585
331 NIY 0.8583
332 5V7 0.8583
333 4L2 0.8582
334 L1T 0.8579
335 TQ1 0.8576
336 WUB 0.8575
337 FLF 0.8574
338 JTA 0.8569
339 2D2 0.8567
340 NOM 0.8558
341 EWG 0.8557
342 8HH 0.8557
343 78Y 0.8555
344 4E2 0.8554
345 U7E 0.8548
346 MR6 0.8547
347 6ZW 0.8546
348 HMZ 0.8546
349 5GV 0.8540
350 MR4 0.8538
351 60L 0.8535
352 AX1 0.8532
353 BIK 0.8528
354 2OX 0.8524
355 B2E 0.8518
356 5ZM 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BPM; Ligand: 529; Similar sites found with APoc: 30
This union binding pocket(no: 1) in the query (biounit: 2bpm.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
1 6AC9 ANP 12.2977
2 6AC9 ANP 12.2977
3 6JKM ADP 24.2718
4 3H9R TAK 29.4498
5 4Y8D 49J 32.3625
6 1JPA ANP 33.3333
7 1U5R ATP 33.657
8 6F3G CJN 34.2373
9 6F3G CJN 34.2373
10 5LPB ADP 34.4595
11 5HVJ ANP 35.2751
12 3CY2 MB9 35.9223
13 1BYG STU 37.4101
14 3SRV S19 38.9892
15 3M2W L8I 39.1304
16 5LVP ATP 42.7184
17 3KN5 ANP 42.7184
18 2WEL K88 43.6893
19 4DC2 ADE 43.6893
20 6PJX SGV 44.0129
21 2VN9 GVD 44.8505
22 2VN9 GVD 44.8505
23 6QF4 ADP 45.3074
24 6FYV 3NG 45.9547
25 1Q8Y ADE 46.6019
26 3C0G 3AM 46.9256
27 6FYL 3NG 46.9256
28 4IJP 1EH 48.2201
29 2YAB AMP 48.2201
30 6A1G 9OL 48.8673
Pocket No.: 2; Query (leader) PDB : 2BPM; Ligand: 529; Similar sites found with APoc: 44
This union binding pocket(no: 2) in the query (biounit: 2bpm.bio2) has 53 residues
No: Leader PDB Ligand Sequence Similarity
1 6AC9 ANP 12.2977
2 6AC9 ANP 12.2977
3 6JKM ADP 24.2718
4 3H9R TAK 29.4498
5 4Y8D 49J 32.3625
6 3FC2 IBI 32.6861
7 1JPA ANP 33.3333
8 5Y80 IRE 33.3333
9 1U5R ATP 33.657
10 2HY0 306 33.657
11 5WNL STU 33.9806
12 6F3G CJN 34.2373
13 6F3G CJN 34.2373
14 5LPB ADP 34.4595
15 3BU5 ATP 34.9673
16 5HVJ ANP 35.2751
17 3CY2 MB9 35.9223
18 6LVK EVC 36.246
19 1BYG STU 37.4101
20 2A19 ANP 38.3803
21 3SRV S19 38.9892
22 3M2W L8I 39.1304
23 3KN5 ANP 42.7184
24 5LVP ATP 42.7184
25 5LVP ATP 42.7184
26 5LVP ATP 42.7184
27 2WEL K88 43.6893
28 5UPK ANP 43.6893
29 5DBX ANP 43.6893
30 2VN9 GVD 44.8505
31 2VN9 GVD 44.8505
32 6QF4 ADP 45.3074
33 6FYV 3NG 45.9547
34 1Q8Y ADE 46.6019
35 3DAK ANP 46.8966
36 3DAK ANP 46.8966
37 6FYL 3NG 46.9256
38 3C0G 3AM 46.9256
39 1PHK ATP 46.9799
40 5X8I SQZ 47.5728
41 5X8I SQZ 47.5728
42 4IJP 1EH 48.2201
43 6A1G 9OL 48.8673
44 2YAK OSV 49.8246
APoc FAQ
Feedback