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Receptor
PDB id Resolution Class Description Source Keywords
3F5X 2.4 Å EC: 2.7.11.22 CDK-2-CYCLIN COMPLEX WITH INDAZOLE INHIBITOR 9 BOUND AT ITS SITE HOMO SAPIENS KINASE PKC PROTEIN KINASE INHIBITOR ATP-BINDING CELL CYDIVISION MITOSIS NUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINE-PROTEIN KINASE TRANSFERASE CYCLIN NUCLETRANSFERASE-CELL CYCLE COMPLEX
Ref.: 2-(6-PHENYL-1H-INDAZOL-3-YL)-1H-BENZO[D]IMIDAZOLES: AND SYNTHESIS OF A POTENT AND ISOFORM SELECTIVE PKC INHIBITOR. BIOORG.MED.CHEM.LETT. V. 19 908 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EZV A:300;
C:300;
Valid;
Valid;
none;
none;
ic50 = 1040 nM
423.513 C25 H25 N7 CN1CC...
GOL A:299;
C:299;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 D:1;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
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 KINASE PHOSPHORYLATION CELL DIVISION CYCLIN
Ref.: 3-AMINOPYRAZOLE INHIBITORS OF CDK2-CYCLIN A AS ANTITUMOR AGENTS. 2. LEAD OPTIMIZATION J.MED.CHEM. V. 48 2944 2005
Members (56)
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 = 48 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 ~ 28 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 mM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
38 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
39 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
40 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
41 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
42 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
43 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
44 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
45 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
46 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
47 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
48 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
49 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
50 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
51 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
52 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
55 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
56 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
70% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 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 = 48 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 ~ 28 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 mM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
38 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
39 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
40 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
41 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
42 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
43 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
44 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
45 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
46 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
47 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
48 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
49 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
50 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
51 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
52 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
55 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
56 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
50% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 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 = 48 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 ~ 28 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 mM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
38 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
39 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
40 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
41 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
42 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
43 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
44 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
45 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
46 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
47 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
48 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
49 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
50 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
51 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
52 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
55 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
56 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EZV; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 EZV 1 1
2 EZR 0.455357 0.828125
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: 482
This union binding pocket(no: 1) in the query (biounit: 2bpm.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 1SWG BTN 2.34375
3 1Q8A HCS 2.589
4 3BOF HCS 2.589
5 3TTM PUT 2.589
6 3AKK ADP 2.64151
7 5A96 GTP 2.81124
8 3PN1 IVH 3.01887
9 5GZ9 ANP 3.01887
10 3DNT ATP 3.01887
11 5OLK DTP 3.01887
12 3TPV ADE 3.01887
13 3I9U DTU 3.04183
14 4ZGP ADP 3.07167
15 5COU ATP 3.23625
16 1JS8 MAN MAN BMA 3.23625
17 3PNA CMP 3.24675
18 4GYI ADP 3.39623
19 2VPQ ANP 3.39623
20 2B6N ALA PRO THR 3.39623
21 3BP1 GUN 3.44828
22 1NE7 AGP 3.46021
23 3W9F I3P 3.46154
24 2YRX AMP 3.55987
25 3PDT ADP 3.77358
26 1F52 ADP 3.77358
27 2GH9 MLR 3.77358
28 5JBE MAL 3.8835
29 2W5P CL8 4.02685
30 4O4F ATP 4.03226
31 4O4F IHP 4.03226
32 5WKR NAR 4.03587
33 1Y60 H4M 4.14201
34 2CFM AMP 4.15094
35 2IF8 ADP 4.15094
36 4U98 ACP 4.15094
37 3ORQ ADP 4.15094
38 2YW2 ATP 4.15094
39 5NM7 GLY 4.15094
40 2BMB PMM 4.15094
41 1NBU PH2 4.20168
42 6DW2 HD4 4.31373
43 5IGI GMP 4.31894
44 5IGI ZIT 4.31894
45 1P6O HPY 4.34783
46 2QX0 PH2 4.40252
47 5MRH Q9Z 4.5283
48 2ZWS PLM 4.5283
49 6EAC ANP 4.5283
50 6A5K SAM 4.5283
51 5I35 ANP 4.5283
52 4OUC 5ID 4.53074
53 3UDZ ADP 4.53074
54 2PNC CLU 4.53074
55 6FL8 TIY 4.53074
56 6FL8 ADP 4.53074
57 6G34 5ID 4.53074
58 4OCJ NDG 4.53074
59 2FB3 MET 4.53074
60 2FB3 5AD 4.53074
61 2PYW ADP 4.85437
62 4OCV ANP 4.85437
63 6CFC BLG 4.85437
64 3C8F MT2 4.89796
65 3K5I ADP 4.90566
66 1CBK ROI 5
67 1SU2 ATP 5.03145
68 4C5N ACP 5.07246
69 1BKC INN 5.07812
70 5MW8 ATP 5.28302
71 1OBD ATP 5.28302
72 2V58 LZJ 5.28302
73 3ZO7 K6H 5.31915
74 3TM0 ANP 5.32319
75 3TM0 B31 5.32319
76 3HAV ATP 5.35117
77 2ZL7 FUC GAL NGA 5.42373
78 2YY8 SAM 5.47264
79 2GQR ADP 5.48523
80 2GQS ADP 5.48523
81 2GQS C2R 5.48523
82 1GSA ADP 5.50162
83 1U6R IOM 5.50162
84 1VRP IOM 5.50162
85 3DCJ THH 5.5814
86 5VZ0 ADP 5.66038
87 1CKM GTP 5.66038
88 6EZ6 C5Z 5.66038
89 1CKN GTP 5.66038
90 5AE9 OKO 5.66038
91 4MV1 ADP 5.66038
92 2XG5 EC5 5.78035
93 2XG5 EC2 5.78035
94 1PK8 ATP 5.82524
95 3TII ANP 5.82524
96 6C1S EFV 6.03774
97 1XDN ATP 6.03774
98 1E4E ADP 6.14887
99 5HV7 RBL 6.14887
100 1JBU BEN 6.34921
101 3X01 AMP 6.41509
102 5C1P ADP 6.41509
103 5EQY 5RA 6.41509
104 1NE6 SP1 6.41509
105 5C1P DAL DAL 6.41509
106 3ETH ATP 6.47249
107 5TDF ADP 6.47249
108 4COQ SAN 6.47773
109 4NFE BEN 6.75105
110 3VPD ANP 6.76157
111 1M0W ANP 6.79245
112 1EHI ADP 6.79245
113 4AZW ATP 6.79612
114 5FI4 5XV 6.79612
115 1T36 ADP 6.79612
116 3OJI PYV 6.87831
117 2TPI ILE VAL 6.89655
118 4X5S AZM 6.89655
119 4INI AMP 6.92308
120 1EIX BMQ 6.93878
121 1WDD CAP 7.03125
122 4Z2S NDG 7.04225
123 4Z2S NAG 7.04225
124 2BKK ADP 7.10059
125 1NY5 ADP 7.11974
126 3TY5 ATP 7.16981
127 3TY5 ADP 7.16981
128 5NC1 NAG 7.173
129 5N9Z CAP 7.19424
130 2II3 CAO 7.25191
131 5DG2 GAL GLC 7.40741
132 3HQP OXL 7.44337
133 1IA9 ANP 7.54717
134 5OES ADP 7.54717
135 1I7L ATP 7.54717
136 4OFG PCG 7.63889
137 6FOF LAT 7.65306
138 4LRJ ANP 7.69231
139 4XZ3 ACP 7.82609
140 5ZCT ANP 7.92453
141 4CSD MFU 7.92453
142 3JQ3 ADP 7.92453
143 3NOJ PYR 7.98319
144 1ULE GLA GAL NAG 8
145 4D52 GIV 8.09062
146 4D52 GXL 8.09062
147 4O1P ANP 8.09062
148 4D4U FUC GAL NAG 8.09062
149 4D4U FUC GAL 8.09062
150 4D4U FUC GAL NDG FUC 8.09062
151 3W0O HY0 8.09062
152 3W0O ADP 8.09062
153 3SAO NKN 8.125
154 4FE2 ADP 8.23529
155 4XYM A12 8.26087
156 5V3D FCN 8.27586
157 1U1J MET 8.30189
158 4PU5 ANP 8.41424
159 2Q7D ANP 8.41424
160 3I0O ADP 8.67924
161 1A99 PUT 8.67924
162 4XMF HSM 8.69565
163 1TZD ADP 8.72727
164 1AUX AGS 8.73786
165 2VQD AP2 8.73786
166 2HGS ADP 8.73786
167 1Z2P I3S 8.73786
168 1Z2P ACP 8.73786
169 3TDV GDP 9.0566
170 3KAL ADP 9.0566
171 1IR2 CAP 9.0566
172 1UZH CAP 9.0566
173 2V67 CAP 9.0566
174 2V68 CAP 9.0566
175 2V6A CAP 9.0566
176 5DMZ ADP 9.43396
177 4ZS4 ATP 9.43396
178 1W2D ADP 9.43396
179 3WVR AMP 9.43396
180 5DXT 5H5 9.43396
181 2AQX ATP 9.43396
182 1W2D 4IP 9.43396
183 2R5V HHH 9.43396
184 5FII PHE 9.80392
185 4RDL FUC GAL NDG FUC 9.81132
186 3VPC ADP 9.92908
187 3VPB ADP 9.92908
188 5X7Q GLC GLC GLC GLC GLC 10.0324
189 1NWW HPN 10.0671
190 3V4S ATP 10.1887
191 1ZTH ADP 10.4651
192 1ZP9 ATP 10.4651
193 4Q5H ANP 10.5263
194 3RE4 TO1 10.8527
195 1TQP ATP 10.9929
196 2QK4 ATP 11.0032
197 5DZT AMP 11.3208
198 4YZ5 SLT 11.3208
199 5YK1 ANP 11.6981
200 3VOT ADP 11.6981
201 2IO8 ADP 11.6981
202 1SDW IYT 11.6981
203 6CGD AKN 11.8033
204 6CGD GNP 11.8033
205 1Y2W NAG 11.9718
206 3B6R CRN 12.0755
207 6AC9 ANP 12.2977
208 5CKW ANP 12.2977
209 5YIF 8VR 12.2977
210 4NZN 2OU 12.4528
211 4NZN ANP 12.4528
212 5VGS 9A7 12.7389
213 2C3W GLC GLC GLC GLC 12.7451
214 2DTJ THR 12.9213
215 3AB4 THR 12.9213
216 3SJK LYS PRO VAL LEU ARG THR ALA 13.1579
217 3KIF GDL 13.2075
218 5EO8 TFU 13.2686
219 3NZ1 3NY 13.41
220 4A8T PAO 13.5693
221 5NW7 9C2 13.5922
222 4IAW LIZ 13.8298
223 4R78 AMP 14.2395
224 5VLQ ANP 14.717
225 2YFO GAL 14.8867
226 2YFO GLA 14.8867
227 3VV1 GAL FUC 15
228 5K2M ADP 15.0943
229 2OFE NAG 15.493
230 2PUL ACP 16.5049
231 4UWH JXM 16.9811
232 4WW7 AMP 17.1123
233 4DFU QUE 18.0124
234 4OAV ACP 18.123
235 5C4L SIS 18.3801
236 5C4L 4XR 18.3801
237 3ZW2 NAG GAL FUC 18.3908
238 3ZW0 FUC 18.3908
239 3ZJX BOG 18.4906
240 1NU4 MLA 18.5567
241 6F7X MFU 18.8889
242 5LXT ACP 19.5804
243 5M06 ADP 19.9275
244 3H2B SAH 20.197
245 4K39 SAM 20.3774
246 2FUE M1P 20.9924
247 6FS8 E4Z 21.4634
248 4CYI ATP 21.6828
249 6BFN DL1 22.0065
250 3LQV ADE 23.0769
251 5VC5 96M 23.1834
252 3Q60 ATP 23.301
253 4BTK DTQ 23.6246
254 5OKT 9XK 24.5955
255 4NFN 2KC 24.5955
256 6GZD LCI 24.9191
257 3VHE 42Q 25.2427
258 5KO1 6UY 25.7951
259 4KBA 1QM 25.89
260 5W4W 9WG 25.89
261 3KIV ACA 26.5823
262 4XH0 ADP 27.8317
263 5QIN J2V 29.1262
264 4IX4 ADP 29.1262
265 2CSN CKI 29.2929
266 3H9R TAK 29.4498
267 4Y0X ADP 29.6
268 4EUU BX7 30.0971
269 4IDT T28 30.0971
270 6GIN IR2 30.2326
271 4FL3 ANP 30.4207
272 3KRL KRL 30.4207
273 3PP0 03Q 30.7443
274 5HCY 60D 31.3916
275 5T8O 76Z 31.3916
276 3DLS ADP 31.7152
277 5JFS 6K0 31.8182
278 6ES0 BW8 32.0388
279 4UAL 3FV 32.0388
280 3UIM ANP 32.0388
281 4YMJ 4EJ 32.2368
282 5CEO 50D 32.3333
283 6BXI ANP 32.3625
284 4CLI 5P8 32.3625
285 4Y8D 49J 32.3625
286 5UIU 8CG 32.6861
287 3FC2 IBI 32.6861
288 2OO8 RAJ 32.6861
289 5TA6 79D 32.6861
290 2R5T ANP 32.6861
291 4U44 3D9 32.6861
292 2F2U M77 33.0097
293 4P5Z Q7M 33.0097
294 6C0T EE4 33.0097
295 5LPZ ADP 33.0097
296 4OH4 ANP 33.0097
297 2X2M X2M 33.0097
298 1U59 STU 33.101
299 3KMW ATP 33.2103
300 3NW7 LGV 33.2248
301 1JPA ANP 33.3333
302 4FF8 14S 33.3333
303 4E93 GUI 33.3333
304 3LXK MI1 33.3333
305 4Y93 746 33.3333
306 3LXN MI1 33.3333
307 5Y80 IRE 33.3333
308 1U5R ATP 33.657
309 2QLU ADE 33.657
310 3TKI S25 33.657
311 2HY0 306 33.657
312 5NKB 8ZT 33.6601
313 1VJY 460 33.6634
314 5AX9 4KT 33.7662
315 2XVD AS6 33.7748
316 4AT3 LTI 33.7793
317 5HES 032 33.8762
318 5WNL STU 33.9806
319 4GJ3 0XP 34.106
320 1K3A ACP 34.1137
321 4YZN 4K5 34.1463
322 6F3G CJN 34.2373
323 5U6C 7YS 34.3042
324 5WO4 B7V 34.4371
325 5LPB ADP 34.4595
326 3C1X CKK 34.6278
327 5EOB 5QQ 34.6278
328 5MJA 7O3 34.7541
329 3EKK GS2 34.8534
330 3BU5 ATP 34.9673
331 1IR3 ANP 34.9673
332 4I94 ANP 35
333 2Y6O 1N1 35.0515
334 4X7Q 3YR 35.2564
335 5HVJ ANP 35.2751
336 4G17 0VN 35.2751
337 3V8S 0HD 35.2751
338 5TO8 7FM 35.461
339 4F4P 0SB 35.5311
340 4QMN DB8 35.5987
341 2WQN ADP 35.5987
342 3FHI ANP 35.5987
343 1RE8 BD2 35.5987
344 2GU8 796 35.5987
345 3IDB ANP 35.5987
346 2QCS ANP 35.5987
347 4E1Z 0MX 35.7388
348 3CY2 MB9 35.9223
349 4N70 2HX 35.9223
350 2PZI AXX 35.9223
351 4WB7 ATP 35.9223
352 1ZY5 ANP 35.9736
353 3PLS ANP 36.2416
354 4K33 ACP 36.246
355 4WB6 ATP 36.246
356 4U0I 0LI 36.246
357 6C7Y ADP 36.3636
358 3RI1 3RH 36.5696
359 1Y57 MPZ 36.5696
360 2PVF ACP 36.5696
361 2H8H H8H 36.5696
362 5USZ SKE 36.6782
363 3SLS ANP 36.8421
364 6E2B PT7 36.8421
365 5JKG 6LF 36.8932
366 1OPK P16 36.8932
367 4EWH T77 37.0909
368 1BYG STU 37.4101
369 5MY8 RXZ 37.5405
370 5LI1 ANP 37.5405
371 4A4X JUP 37.6344
372 4OTH DRN 37.8641
373 3FHR P4O 38.1877
374 4Y85 499 38.1877
375 5UR1 YY9 38.1877
376 4WOV 3SM 38.1877
377 3GNI ATP 38.1877
378 3GQI ACP 38.1877
379 2A19 ANP 38.3803
380 6CQF F97 38.3838
381 3E8N VRA 38.5113
382 3E8N ATP 38.5113
383 2Z7R STU 38.835
384 4AG8 AXI 38.835
385 3ORK AGS 38.835
386 4ASE AV9 38.835
387 3SRV S19 38.9892
388 4RFM 3P6 39.0977
389 5FBN 5WF 39.1144
390 3M2W L8I 39.1304
391 4NW6 2NS 39.1586
392 4UXL 5P8 39.1586
393 4I6H 1C8 39.2857
394 6GQM F8H 39.4822
395 3G5D 1N1 39.5105
396 5H2U 1N1 39.7004
397 4G31 0WH 39.7993
398 5C03 AGS 39.8058
399 5VCV 1N1 39.8058
400 6CZ3 FLJ 40.1515
401 4WNP 3RJ 40.4181
402 4L9I 8PR 40.4531
403 4PNI KQQ 40.4531
404 4XV1 904 40.7534
405 5N87 N66 41.1003
406 4M69 ANP 41.2141
407 3BZ3 YAM 41.3043
408 3HMO STU 41.4239
409 3VRY B43 41.4239
410 3ALN ANP 41.7476
411 4BHN BH9 41.7476
412 4YZC STU 41.7476
413 4TWP AXI 42.0664
414 5IH9 6BF 42.0712
415 3RWP ABQ 42.3948
416 6GWR FEW 42.3948
417 6E2O S0L 42.7119
418 5LVP ATP 42.7184
419 3KN5 ANP 42.7184
420 4CQE CQE 42.8058
421 2OFV 242 42.9603
422 4JR7 GNP 43.0421
423 2V7O DRN 43.0421
424 2VZ6 FEF 43.3657
425 1P0Z FLC 43.5115
426 2WEL K88 43.6893
427 4DC2 ADE 43.6893
428 5DBX ANP 43.6893
429 5UKL SIX 43.6893
430 3MVH WFE 43.6893
431 3PVW QRX 43.6893
432 4BFM ANP 43.6893
433 5LI9 ACP 43.6893
434 4FG8 ATP 43.6893
435 5UPK ANP 43.6893
436 5JZJ AN2 44.1077
437 4WNK 453 44.3366
438 4CSV STI 44.3636
439 2F57 23D 44.6602
440 2XK9 XK9 44.6602
441 2VN9 GVD 44.8505
442 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 44.9838
443 2JDR L20 44.9838
444 1XJD STU 44.9838
445 4F9C 0SX 45.6311
446 6FYV 3NG 45.9547
447 5XVG 8FX 46.0751
448 5DRB 5FJ 46.3918
449 3GGF GVD 46.5116
450 1Q8Y ADE 46.6019
451 1Q8Y ADP 46.6019
452 2J7T 274 46.6887
453 3AQV TAK 46.7391
454 3DAK ANP 46.8966
455 4KS7 X4Z 46.9178
456 3C0G 3AM 46.9256
457 6FYL 3NG 46.9256
458 1PHK ATP 46.9799
459 6CMJ F6J 47.2492
460 5EH0 5NW 47.2868
461 4L3L 5FI 47.3684
462 2HK5 1BM 47.4074
463 6G33 5ID 47.5728
464 5X8I SQZ 47.5728
465 3IGO ANP 47.5728
466 4ONA UW1 47.5728
467 2WU6 DKI 47.8964
468 5JGA 6KC 47.8964
469 4IJP 1EH 48.2201
470 2YAB AMP 48.2201
471 3HZT J60 48.2201
472 3SXS PP2 48.5075
473 5DH3 5BS 48.5437
474 4USF 6UI 48.6842
475 6A1G 9OL 48.8673
476 3TXO 07U 48.8673
477 5DEY 59T 49.1582
478 5YF9 NIO 49.1909
479 2ZV2 609 49.3289
480 4C2V YJA 49.4737
481 2YAK OSV 49.8246
482 3PE2 E1B 49.8382
Pocket No.: 2; Query (leader) PDB : 2BPM; Ligand: 529; Similar sites found with APoc: 53
This union binding pocket(no: 2) in the query (biounit: 2bpm.bio2) has 53 residues
No: Leader PDB Ligand Sequence Similarity
1 2FCU AKG 2.64151
2 4KVL PLM 2.64151
3 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 2.72374
4 1OPB RET 2.98507
5 5WS9 OXL 3.01887
6 5IH1 GDP 3.01887
7 3OF1 CMP 3.25203
8 1ZNY GDP 3.38164
9 2G50 PYR 3.39623
10 2PA7 TYD 3.5461
11 3W6G FLC 3.7037
12 1DKU AP2 3.77358
13 2VDY HCY 3.77358
14 4RW3 TDA 4.15094
15 3E7S AT2 4.20712
16 2PIE GLU LEU LYS TPO GLU ARG TYR 4.34783
17 6HDT BTN 4.51128
18 5IM3 DTP 4.5283
19 5Y02 HBX 4.6729
20 4QYN RTL 5.26316
21 1PS6 4TP 5.82524
22 6BU0 IHP 6.10687
23 4UWM FMN 6.41509
24 1S68 AMP 6.82731
25 1XV5 UDP 7.11974
26 1SZ0 M6P 7.16981
27 5OYA CAP 7.19424
28 1VDN ACE ALA ALA PRO ALA MCM 7.40741
29 1W6P NDG GAL 7.46269
30 5DZ2 212 7.54717
31 4FE2 AIR 8.23529
32 1F5F DHT 8.29268
33 3SHR CMP 8.3612
34 1Q19 SSC 8.41424
35 4USI AKG 8.44156
36 1MJT ITU 9.0566
37 4MAF ADX 9.06149
38 3NV3 GAL NAG MAN 9.42029
39 1EB9 HBA 9.54198
40 1VKF CIT 9.57447
41 4CC6 L5Y 9.74843
42 2HKA C3S 10.7692
43 3T2W BTN 11.4754
44 1IHU AF3 11.6505
45 4WVW SLT 11.8056
46 5T96 79J 12.0755
47 6CA4 MLI 12.4
48 4KU7 PCG 15.6863
49 5JAX 6J7 17.7778
50 4PL9 ADP 18.0328
51 3ZW2 GLA NAG GAL FUC 18.3908
52 1FWV SGA MAG FUC 18.6567
53 3SLS 77D 36.8421
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