Receptor
PDB id Resolution Class Description Source Keywords
2C5O 2.1 Å EC: 2.7.11.22 DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN HOMO SAPIENS DIFFERENTIAL INHIBITION TRANSFERASE CDK2 ATP-BINDING CELL CYCLE CELL DIVISION POLYMORPHISM PHOSPHORYLATION NUCLEOTIDE-BINDING SERINE/THREONINE-PROTEIN KINASE MITOSIS CYCLIN
Ref.: DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN. CHEM.BIOL. V. 13 201 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CK2 A:1297;
C:1298;
 Valid;
Valid;
 none;
none;
 ic50 = 6.5 uM
206.267 C9 H10 N4 S Cc1c(...
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: CK2; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CK2 1 1
2 CK4 0.451613 0.853659
3 CK8 0.442623 0.813953
Similar Ligands (3D)
Ligand no: 1; Ligand: CK2; Similar ligands found: 873
No: Ligand Similarity coefficient
1 CK1 0.9796
2 L22 0.9618
3 CH9 0.9616
4 4V2 0.9613
5 7VP 0.9551
6 HX4 0.9543
7 46P 0.9542
8 BNL 0.9537
9 N0Z 0.9532
10 1A7 0.9522
11 XDK 0.9521
12 BP3 0.9507
13 X11 0.9473
14 IWT 0.9471
15 30G 0.9453
16 JRB 0.9433
17 TT4 0.9425
18 JG8 0.9425
19 BZE 0.9424
20 L13 0.9417
21 NCT 0.9414
22 EN1 0.9402
23 FDR 0.9401
24 C53 0.9394
25 GVG 0.9391
26 F16 0.9384
27 6HO 0.9378
28 795 0.9374
29 92G 0.9373
30 JF6 0.9372
31 2K8 0.9366
32 BPY 0.9362
33 BP7 0.9355
34 0BP 0.9355
35 2F6 0.9350
36 HRM 0.9349
37 3QV 0.9345
38 B2Y 0.9344
39 PJW 0.9343
40 X48 0.9343
41 15E 0.9339
42 ZYR 0.9335
43 HQJ 0.9333
44 BIK 0.9331
45 AN3 0.9331
46 WOE 0.9319
47 6FB 0.9302
48 MSR 0.9294
49 9UL 0.9293
50 R9G 0.9292
51 AWE 0.9290
52 H4E 0.9289
53 DC5 0.9282
54 A29 0.9279
55 HNK 0.9278
56 HNL 0.9278
57 R20 0.9273
58 9R5 0.9273
59 5VL 0.9270
60 HNH 0.9270
61 28A 0.9269
62 AOT 0.9267
63 L5V 0.9261
64 344 0.9258
65 HHS 0.9253
66 0NX 0.9250
67 W29 0.9244
68 FHC 0.9240
69 K80 0.9240
70 6QF 0.9238
71 KMY 0.9237
72 ZME 0.9236
73 SQ7 0.9234
74 PH2 0.9231
75 4LV 0.9230
76 A9P 0.9228
77 IQQ 0.9226
78 GO2 0.9226
79 4LW 0.9225
80 DDU 0.9225
81 1HN 0.9224
82 MPV 0.9223
83 KTJ 0.9223
84 D3G 0.9223
85 HHR 0.9221
86 CPZ 0.9221
87 C0H 0.9217
88 9FL 0.9216
89 JWS 0.9216
90 L5D 0.9214
91 FQX 0.9213
92 DUR 0.9213
93 A5E 0.9212
94 5TY 0.9212
95 68A 0.9209
96 FTV 0.9208
97 4XF 0.9206
98 FCD 0.9201
99 ALE 0.9201
100 XDE 0.9201
101 X0U 0.9201
102 HJH 0.9197
103 6TZ 0.9197
104 D2G 0.9196
105 SQ4 0.9192
106 9CA 0.9191
107 PPY 0.9189
108 ENO 0.9189
109 DRG 0.9188
110 AA 0.9188
111 S60 0.9188
112 SOV 0.9188
113 G14 0.9188
114 1IT 0.9186
115 ANC 0.9185
116 2FQ 0.9185
117 8NX 0.9184
118 F4E 0.9183
119 3J8 0.9181
120 3VQ 0.9180
121 0TU 0.9180
122 97T 0.9179
123 JGB 0.9178
124 WVV 0.9178
125 AUV 0.9177
126 NFA 0.9176
127 BZJ 0.9175
128 GVY 0.9175
129 PEY 0.9172
130 LL1 0.9171
131 363 0.9170
132 2JM 0.9169
133 MQN 0.9169
134 AJY 0.9167
135 4BL 0.9166
136 SNU 0.9166
137 GJP 0.9166
138 0JD 0.9163
139 GT4 0.9163
140 B21 0.9162
141 1WC 0.9161
142 HIC 0.9158
143 TYR 0.9158
144 4JQ 0.9157
145 AJV 0.9156
146 54E 0.9156
147 T2D 0.9156
148 1L5 0.9155
149 E7S 0.9154
150 BP6 0.9153
151 50C 0.9152
152 OQC 0.9151
153 1Z6 0.9150
154 THA 0.9150
155 5TZ 0.9145
156 PH3 0.9145
157 SAF 0.9144
158 Q4G 0.9140
159 KDG 0.9139
160 YZM 0.9137
161 15N 0.9137
162 3R4 0.9136
163 6ME 0.9134
164 E1T 0.9132
165 KYN 0.9131
166 ANF 0.9130
167 S2P 0.9129
168 ROI 0.9129
169 ESX 0.9128
170 DCZ 0.9128
171 4YO 0.9125
172 SWX 0.9125
173 PIY 0.9123
174 4BY 0.9123
175 AMR 0.9122
176 JYB 0.9122
177 GNM 0.9121
178 N91 0.9121
179 4MU 0.9121
180 49O 0.9120
181 J9Q 0.9119
182 61M 0.9118
183 36Y 0.9118
184 2HC 0.9118
185 DX3 0.9117
186 0XT 0.9117
187 8XL 0.9116
188 M3E 0.9115
189 DPT 0.9115
190 1XA 0.9114
191 2QC 0.9114
192 CTN 0.9113
193 V1T 0.9113
194 PIM 0.9112
195 L1T 0.9112
196 8HC 0.9111
197 1VK 0.9110
198 J6W 0.9108
199 SQV 0.9108
200 492 0.9108
201 1SF 0.9107
202 N2I 0.9107
203 BGU 0.9106
204 4Z3 0.9105
205 4Z9 0.9104
206 J9T 0.9102
207 0FK 0.9102
208 0FR 0.9101
209 8MO 0.9101
210 4RU 0.9100
211 HXY 0.9098
212 M1Z 0.9097
213 SHI 0.9097
214 LNR 0.9097
215 THU 0.9097
216 M5H 0.9096
217 HA5 0.9094
218 2B4 0.9094
219 FMQ 0.9094
220 N3W 0.9094
221 6J9 0.9093
222 UNJ 0.9091
223 C82 0.9090
224 N2Z 0.9090
225 VXX 0.9089
226 QUS 0.9088
227 KJU 0.9088
228 3ZB 0.9087
229 PHE 0.9087
230 DQU 0.9085
231 F2W 0.9084
232 KCH 0.9083
233 MPK 0.9081
234 DPN 0.9081
235 ZZA 0.9080
236 6SD 0.9079
237 3VX 0.9078
238 KDV 0.9077
239 ESI 0.9077
240 9FH 0.9077
241 B4O 0.9076
242 BCK 0.9076
243 EGR 0.9075
244 1KN 0.9075
245 52C 0.9075
246 XHP 0.9071
247 4G2 0.9070
248 2GD 0.9070
249 HHH 0.9070
250 J9N 0.9069
251 HNT 0.9069
252 2PV 0.9068
253 DNA 0.9068
254 ITE 0.9068
255 TZF 0.9067
256 80G 0.9067
257 A5H 0.9067
258 JP2 0.9066
259 6Q3 0.9066
260 LDC 0.9066
261 BEA 0.9065
262 E35 0.9064
263 HFA 0.9064
264 ODK 0.9062
265 JCZ 0.9062
266 X6P 0.9058
267 069 0.9057
268 L99 0.9054
269 S7S 0.9053
270 5GU 0.9053
271 9AP 0.9051
272 E3X 0.9050
273 3PF 0.9050
274 EQW 0.9049
275 8WO 0.9048
276 39O 0.9045
277 B2T 0.9044
278 0FO 0.9043
279 D48 0.9041
280 PRL 0.9040
281 D8Q 0.9039
282 TIY 0.9039
283 SRO 0.9038
284 HBO 0.9037
285 7MX 0.9036
286 27B 0.9035
287 5QY 0.9035
288 CLZ 0.9035
289 N8Y 0.9035
290 LDR 0.9034
291 5F8 0.9034
292 B62 0.9034
293 0F9 0.9032
294 II4 0.9032
295 TIA 0.9030
296 TCC 0.9029
297 P80 0.9028
298 2FX 0.9027
299 44V 0.9027
300 4AU 0.9027
301 C1M 0.9026
302 4FF 0.9026
303 8ZE 0.9026
304 0LO 0.9025
305 7QS 0.9025
306 H4B 0.9025
307 OTW 0.9023
308 8D6 0.9021
309 6KT 0.9021
310 2PK 0.9021
311 TWO 0.9021
312 833 0.9019
313 CXH 0.9018
314 MD6 0.9012
315 AY4 0.9012
316 44W 0.9010
317 RA7 0.9009
318 0W1 0.9009
319 PBQ 0.9009
320 H5B 0.9008
321 MXD 0.9007
322 R2P 0.9005
323 TMG 0.9005
324 HIS 0.9002
325 7Q1 0.9001
326 EAE 0.9001
327 R9Y 0.8998
328 XCG 0.8998
329 TZM 0.8996
330 KTW 0.8996
331 N9J 0.8995
332 CCV 0.8994
333 QX4 0.8994
334 BZ2 0.8994
335 TIH 0.8994
336 BIO 0.8993
337 LEL 0.8989
338 3Y7 0.8989
339 EWG 0.8988
340 4HB 0.8987
341 5FL 0.8984
342 IQ5 0.8984
343 FC2 0.8983
344 DTY 0.8981
345 A9K 0.8981
346 J5I 0.8980
347 AVA 0.8979
348 0HO 0.8978
349 3VW 0.8977
350 M3H 0.8976
351 ONR 0.8975
352 78Y 0.8974
353 12T 0.8972
354 PFF 0.8971
355 2BG 0.8970
356 F69 0.8970
357 ERZ 0.8970
358 1F1 0.8969
359 QIV 0.8968
360 TCR 0.8968
361 9ZE 0.8968
362 KLS 0.8967
363 OA1 0.8965
364 4I8 0.8964
365 DHC 0.8964
366 C9E 0.8961
367 ESP 0.8959
368 JAW 0.8959
369 EAJ 0.8959
370 MVN 0.8958
371 2HU 0.8957
372 89J 0.8956
373 3TC 0.8955
374 LZ5 0.8954
375 JU2 0.8954
376 G3E 0.8952
377 A4N 0.8952
378 TJM 0.8951
379 A7K 0.8951
380 3A9 0.8950
381 DAH 0.8948
382 0HN 0.8948
383 7MW 0.8948
384 GF4 0.8946
385 5OO 0.8945
386 5NI 0.8944
387 6NT 0.8944
388 A9O 0.8943
389 SNO 0.8942
390 ANN 0.8941
391 428 0.8941
392 PQ0 0.8940
393 LTT 0.8939
394 TGX 0.8939
395 UFO 0.8939
396 I3E 0.8938
397 DE3 0.8936
398 F4K 0.8934
399 TRP 0.8934
400 27M 0.8934
401 BBY 0.8933
402 86J 0.8932
403 THM 0.8932
404 6NI 0.8932
405 FZM 0.8931
406 79W 0.8930
407 Z5P 0.8930
408 C2Y 0.8930
409 61O 0.8929
410 H70 0.8928
411 BQ2 0.8926
412 6FZ 0.8926
413 CFA 0.8922
414 A7H 0.8921
415 JAH 0.8920
416 ICB 0.8920
417 TYC 0.8920
418 6ZX 0.8919
419 PNZ 0.8918
420 ZYW 0.8917
421 KYA 0.8917
422 5C1 0.8915
423 WSD 0.8915
424 9B3 0.8913
425 FF2 0.8912
426 HL4 0.8912
427 4BF 0.8912
428 5LA 0.8912
429 B40 0.8911
430 SE2 0.8911
431 2ZM 0.8911
432 SLS 0.8910
433 1ZC 0.8910
434 BPU 0.8910
435 PRF 0.8910
436 2JK 0.8908
437 1QP 0.8908
438 S98 0.8907
439 1KP 0.8906
440 KW8 0.8905
441 0N7 0.8905
442 CS2 0.8904
443 ABI 0.8902
444 BZQ 0.8901
445 173 0.8900
446 537 0.8899
447 28N 0.8899
448 HBI 0.8897
449 DTR 0.8896
450 CNI 0.8896
451 JBZ 0.8893
452 TYL 0.8893
453 92P 0.8893
454 ZSP 0.8893
455 2HQ 0.8892
456 GZ2 0.8892
457 0A9 0.8892
458 7MU 0.8891
459 5XC 0.8891
460 DIR 0.8889
461 3NY 0.8889
462 0OL 0.8888
463 VM1 0.8886
464 6L6 0.8886
465 TB8 0.8885
466 7O4 0.8884
467 6RQ 0.8884
468 GZL 0.8884
469 2J1 0.8883
470 28B 0.8883
471 ZIQ 0.8882
472 JTA 0.8880
473 SNV 0.8880
474 5GT 0.8880
475 2GQ 0.8879
476 KUF 0.8877
477 2D2 0.8875
478 L15 0.8871
479 7UZ 0.8871
480 P7Y 0.8871
481 K44 0.8870
482 S0E 0.8867
483 HC4 0.8866
484 TCA 0.8866
485 LJ3 0.8865
486 NAG 0.8863
487 CKA 0.8862
488 XEV 0.8861
489 GNV 0.8861
490 S0D 0.8861
491 3CA 0.8860
492 YE6 0.8859
493 7ZL 0.8858
494 SQP 0.8858
495 4VY 0.8858
496 3D8 0.8855
497 Y3L 0.8855
498 MOK 0.8853
499 BRH 0.8851
500 HHI 0.8850
501 SV4 0.8850
502 2WU 0.8849
503 AU8 0.8848
504 L03 0.8848
505 B56 0.8848
506 N1E 0.8848
507 PO6 0.8847
508 0DN 0.8845
509 SYV 0.8844
510 E1K 0.8844
511 2AK 0.8843
512 BY5 0.8842
513 S8D 0.8842
514 TOF 0.8840
515 92K 0.8839
516 OCH 0.8839
517 LQ2 0.8838
518 FUD 0.8837
519 1ER 0.8836
520 FLV 0.8835
521 6X9 0.8833
522 CWJ 0.8832
523 GO8 0.8832
524 X6W 0.8832
525 6MW 0.8832
526 3XH 0.8831
527 VC3 0.8831
528 36M 0.8829
529 8NB 0.8828
530 7I2 0.8827
531 COU 0.8827
532 TTL 0.8827
533 0K7 0.8826
534 U2Z 0.8825
535 XIZ 0.8824
536 ZRK 0.8823
537 WS7 0.8823
538 64C 0.8823
539 5RO 0.8823
540 N2M 0.8823
541 RKV 0.8821
542 4NB 0.8820
543 2UB 0.8819
544 S3C 0.8819
545 XM5 0.8818
546 M45 0.8818
547 AH9 0.8816
548 WS6 0.8816
549 XI7 0.8816
550 5GV 0.8812
551 Q77 0.8812
552 DK1 0.8812
553 OTR 0.8810
554 HQD 0.8810
555 3C5 0.8809
556 PUE 0.8809
557 94W 0.8808
558 5AD 0.8807
559 IOS 0.8807
560 8G6 0.8806
561 5B2 0.8805
562 VBC 0.8804
563 LO1 0.8803
564 ES5 0.8803
565 ODO 0.8801
566 JSX 0.8800
567 A7Q 0.8800
568 7ME 0.8800
569 MMS 0.8798
570 4WL 0.8798
571 MUK 0.8798
572 S1D 0.8798
573 4ZF 0.8798
574 7R4 0.8797
575 NK5 0.8796
576 5VU 0.8795
577 DIN 0.8795
578 HDH 0.8795
579 GNY 0.8795
580 FER 0.8794
581 0UL 0.8794
582 7B3 0.8793
583 IOP 0.8792
584 4KL 0.8791
585 2AQ 0.8791
586 Z70 0.8790
587 9PL 0.8790
588 3GV 0.8789
589 5F5 0.8789
590 SLY 0.8788
591 878 0.8786
592 1FL 0.8786
593 MAJ 0.8784
594 EYJ 0.8784
595 ZEB 0.8783
596 9BF 0.8783
597 SKF 0.8783
598 54X 0.8782
599 RVE 0.8782
600 8OZ 0.8780
601 BQ5 0.8780
602 UKV 0.8779
603 MUA 0.8779
604 MUR 0.8779
605 HJ7 0.8778
606 PYU 0.8776
607 JY4 0.8776
608 G12 0.8775
609 549 0.8775
610 2J2 0.8774
611 D1Y 0.8774
612 3VS 0.8774
613 9FE 0.8773
614 2O6 0.8773
615 8CM 0.8770
616 4ME 0.8769
617 78U 0.8769
618 0SY 0.8768
619 8W9 0.8768
620 D9Z 0.8767
621 IA2 0.8767
622 LT2 0.8766
623 JA8 0.8765
624 JLZ 0.8765
625 RNO 0.8763
626 CSN 0.8762
627 SOR 0.8761
628 M83 0.8760
629 4GU 0.8760
630 BVA 0.8760
631 0GA 0.8757
632 226 0.8756
633 AZ9 0.8756
634 EVF 0.8756
635 1AJ 0.8753
636 5E5 0.8753
637 6BL 0.8752
638 AX3 0.8752
639 ENG 0.8751
640 QKU 0.8750
641 D1G 0.8750
642 3RP 0.8750
643 P9E 0.8750
644 LUM 0.8749
645 ES2 0.8749
646 GNW 0.8749
647 JF8 0.8749
648 1XS 0.8749
649 AVX 0.8749
650 JB8 0.8749
651 TOH 0.8748
652 ISZ 0.8747
653 03V 0.8747
654 LLT 0.8747
655 TR4 0.8747
656 IV2 0.8746
657 SBK 0.8746
658 JZA 0.8744
659 HCI 0.8744
660 4P5 0.8744
661 SOJ 0.8742
662 6E8 0.8742
663 IPO 0.8742
664 DHI 0.8742
665 CLU 0.8742
666 FBB 0.8741
667 5O6 0.8741
668 JDN 0.8740
669 5VJ 0.8739
670 EQA 0.8738
671 CC5 0.8738
672 MRW 0.8738
673 INO 0.8738
674 ID2 0.8738
675 DXK 0.8737
676 9CE 0.8736
677 A6Z 0.8733
678 QME 0.8732
679 N8Z 0.8732
680 OCZ 0.8728
681 ZHA 0.8728
682 1P8 0.8728
683 Q9T 0.8728
684 NDD 0.8727
685 4Z1 0.8726
686 1A5 0.8725
687 0P6 0.8724
688 CWS 0.8723
689 AR3 0.8723
690 OGA 0.8723
691 S2G 0.8723
692 LGT 0.8723
693 ZEC 0.8722
694 XFE 0.8722
695 XAZ 0.8722
696 RQD 0.8720
697 HSX 0.8720
698 49P 0.8719
699 MEX 0.8718
700 APS 0.8717
701 IYR 0.8717
702 AKG 0.8717
703 CLW 0.8716
704 DHB 0.8715
705 6P3 0.8714
706 4ZA 0.8713
707 5TT 0.8713
708 GTC 0.8713
709 2LT 0.8710
710 EV2 0.8710
711 EXD 0.8710
712 36E 0.8708
713 60L 0.8708
714 DNB 0.8708
715 QMS 0.8708
716 4Z4 0.8707
717 U7E 0.8706
718 55D 0.8703
719 2LY 0.8703
720 XIF XYP 0.8703
721 XYP XIF 0.8703
722 P4L 0.8703
723 WUB 0.8702
724 YTX 0.8702
725 IS2 0.8701
726 EAT 0.8701
727 5WT 0.8700
728 NE2 0.8700
729 F31 0.8699
730 CTD 0.8699
731 774 0.8699
732 P81 0.8698
733 ZYQ 0.8698
734 CFI 0.8697
735 K2T 0.8696
736 PBN 0.8694
737 NNO 0.8694
738 CX6 0.8693
739 8WT 0.8692
740 1BN 0.8691
741 5S9 0.8690
742 BHO 0.8690
743 EE8 0.8688
744 KWB 0.8688
745 E0O 0.8686
746 EUE 0.8685
747 K34 0.8683
748 4A3 0.8683
749 BPS 0.8681
750 RUY 0.8678
751 SG2 0.8678
752 MP5 0.8678
753 YE7 0.8677
754 DE5 0.8677
755 JRO 0.8675
756 MZR 0.8674
757 URC 0.8672
758 MZM 0.8671
759 DNF 0.8671
760 VGD 0.8671
761 M6Z 0.8670
762 K25 0.8669
763 TAG 0.8668
764 2AL 0.8667
765 X8D 0.8667
766 GXD 0.8667
767 F40 0.8666
768 3HM 0.8665
769 B86 0.8665
770 MS9 0.8664
771 51Y 0.8661
772 PUR 0.8660
773 GLU 0.8659
774 6C5 0.8658
775 2KU 0.8655
776 X0W 0.8654
777 NIZ 0.8653
778 DEE 0.8652
779 XRS 0.8652
780 BHQ 0.8652
781 36R 0.8650
782 64E 0.8649
783 FHI 0.8649
784 LTN 0.8647
785 RD4 0.8645
786 ARG 0.8645
787 TYU 0.8645
788 0OY 0.8644
789 CIY 0.8643
790 C0W 0.8642
791 U4J 0.8641
792 I2E 0.8641
793 DNQ 0.8641
794 TXW 0.8639
795 1PS 0.8637
796 4AA 0.8637
797 2HO 0.8636
798 ID8 0.8635
799 A7W 0.8635
800 R9J 0.8634
801 M4E 0.8633
802 NIR 0.8633
803 MCY 0.8633
804 HSO 0.8632
805 HWD 0.8632
806 5V7 0.8631
807 4FP 0.8628
808 2HG 0.8626
809 JND 0.8624
810 ATX 0.8622
811 OVM 0.8621
812 M78 0.8620
813 272 0.8619
814 M4S 0.8615
815 DBS 0.8614
816 9NB 0.8614
817 GZQ 0.8613
818 EA1 0.8612
819 AJD 0.8612
820 K7H 0.8612
821 16Z 0.8610
822 3YQ 0.8609
823 39Z 0.8609
824 PD2 0.8605
825 LDP 0.8605
826 DHZ 0.8602
827 ET2 0.8600
828 92O 0.8599
829 Q04 0.8597
830 MAQ 0.8597
831 GOJ 0.8592
832 PBA 0.8590
833 8UY 0.8589
834 PIQ 0.8588
835 PDC 0.8588
836 G6P 0.8586
837 N7I 0.8585
838 6J3 0.8583
839 HRD 0.8580
840 AVO 0.8579
841 14W 0.8577
842 ZEA 0.8577
843 B60 0.8576
844 NRA 0.8574
845 GCO 0.8573
846 2FY 0.8572
847 RBV 0.8571
848 AMH 0.8569
849 URO 0.8569
850 75K 0.8567
851 F06 0.8566
852 M6N 0.8565
853 IDZ 0.8564
854 APZ 0.8564
855 9TW 0.8564
856 LFQ 0.8562
857 JB5 0.8561
858 F02 0.8560
859 JMG 0.8560
860 7L4 0.8560
861 1Z8 0.8560
862 GDE 0.8558
863 NMM 0.8555
864 TLF 0.8554
865 26C 0.8554
866 EYV 0.8553
867 RCV 0.8551
868 KF5 0.8550
869 3AD 0.8548
870 3L1 0.8536
871 H75 0.8535
872 A9B 0.8535
873 VUP 0.8515
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
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