Receptor
PDB id Resolution Class Description Source Keywords
4MS0 1.79 Å EC: 3.1.4.17 CRYSTAL STRUCTURE OF PDE10A2 WITH FRAGMENT ZT0443 (6-CHLOROP 2,4-DIAMINE) HOMO SAPIENS FRAGMENT SCREENING HYDROLASE HYDROLASE-HYDROLASE INHIBITOR
Ref.: IDENTIFICATION AND OPTIMIZATION OF PDE10A INHIBITOR FRAGMENT-BASED SCREENING BY NANOCALORIMETRY AND X-R CRYSTALLOGRAPHY. J BIOMOL SCREEN V. 19 497 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NI A:901;
A:902;
B:902;
B:901;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
58.693 Ni [Ni+2...
2ZX A:900;
 Valid;
 none;
 Ki = 410 uM
144.562 C4 H5 Cl N4 c1c(n...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5C2H 2.09 Å EC: 3.1.4.17 PDE10 COMPLEXED WITH 6-CHLORO-N-[(2,4-DIMETHYLTHIAZOL-5-YL)M METHYL-2-[3-(2-QUINOLYL)PROPOXY]PYRIMIDIN-4-AMINE HOMO SAPIENS PHOSPHODIESTERASE INHIBITOR COMPLEX HYDROLASE-HYDROLASE ICOMPLEX
Ref.: DISCOVERY AND OPTIMIZATION OF A SERIES OF PYRIMIDIN PHOSPHODIESTERASE 10A (PDE10A) INHIBITORS THROUGH F SCREENING, STRUCTURE-BASED DESIGN, AND PARALLEL SYN J.MED.CHEM. V. 58 7888 2015
Members (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 5I2R ic50 = 0.019 uM 67A C20 H13 F3 N4 O2 c1ccc(cc1)....
2 4FCB ic50 = 2.9 nM 0T7 C25 H24 N4 O CCCc1nc(c2....
3 4LM3 Ki = 1200 uM 9ZE C10 H10 O3 CC(=O)c1cc....
4 5C29 Ki = 880 nM 4XY C11 H16 Cl N3 CCCNc1c(c(....
5 4MSC Ki = 1.1 uM 2ZT C19 H14 N2 O c1ccc2c(c1....
6 2OUQ - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
7 4MRW Ki = 500 uM MRW C9 H6 Cl N O c1cc2c(ccn....
8 6MSC ic50 = 21 nM JY7 C17 H14 F N5 O Cc1cnccc1c....
9 5C2E Ki = 2 nM 4Y1 C18 H20 Cl N5 O S Cc1c(nc(nc....
10 4LKQ Ki = 450 uM 1XM C5 H5 N5 S c1c2c([nH]....
11 3LXG ic50 = 7.28 nM Z73 C15 H18 N4 O CCCc1nc(c2....
12 5AXP ic50 = 0.94 nM 4LK C23 H18 F N5 O4 COC1=CN(N=....
13 4ZO5 Ki = 0.15 nM 4Q0 C28 H25 N3 O5 CC(C)Oc1cc....
14 5C1W Ki = 8.7 uM 4XS C8 H8 Cl2 N2 Cc1c(nc(nc....
15 3UI7 Ki = 1 nM C1L C18 H22 N4 O2 Cc1cc(cc2c....
16 2OUY - CMP C10 H12 N5 O6 P c1nc(c2c(n....
17 3SNL ic50 = 0.7 nM 548 C19 H14 Cl F3 N4 Cc1cnccc1c....
18 4LM4 Ki = 910 uM JPZ C8 H6 N2 O c1ccc2c(c1....
19 2OUN - AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 6MSA ic50 = 5 nM JY4 C12 H12 N4 O2 Cc1c2c3cc(....
21 5EDI ic50 = 0.3 nM 5M9 C17 H22 Cl N7 Cc1cc(c(n2....
22 2OUR - CMP C10 H12 N5 O6 P c1nc(c2c(n....
23 2Y0J ic50 = 12 nM AXC C18 H14 N6 S Cc1nc2c3cc....
24 4FCD ic50 = 0.28 nM 0T6 C18 H15 Cl N4 O2 Cc1c2nnc3c....
25 5B4L ic50 = 0.76 nM 6DW C28 H27 N7 O2 c1ccc(cc1)....
26 5C2H Ki = 0.0082 nM 4XU C23 H24 Cl N5 O S Cc1c(nc(nc....
27 4YS7 ic50 = 0.001 uM 4GK C20 H19 N7 Cc1cnc(c2n....
28 5EDH - 5MF C17 H24 N8 CCc1cnc(n2....
29 4PHW ic50 = 0.1 nM 2W1 C24 H21 N3 O3 c1ccc2c(c1....
30 4BBX ic50 = 60 nM LKF C18 H24 N6 O2 Cc1c(n2ccn....
31 5DH5 Ki = 0.23 nM 5AY C20 H21 N7 O Cn1cc(cn1)....
32 4P1R ic50 = 4.1 nM 2KR C19 H17 N5 O Cc1ccc(nc1....
33 6KDX ic50 = 294 nM D6X C18 H18 N6 Cc1cc(n2c(....
34 4LLP Ki = 16 uM 4ZE C7 H9 N O Cc1cc(ccc1....
35 5UWF ic50 = 0.059 uM 8Q7 C22 H19 F2 N5 O3 S COc1ccc(cc....
36 4MSH Ki = 210 uM 2D0 C7 H5 Cl N2 S c1cc2c(c(c....
37 5AXQ ic50 = 0.08 nM 4LP C28 H26 F N5 O3 CC1(c2c(cc....
38 4LM2 Ki = 940 uM 8ZE C9 H10 O3 c1cc2c(cc1....
39 4YQH ic50 = 0.009 uM 4F7 C19 H16 N4 c1ccc(cc1)....
40 5C2A Ki = 4.8 nM 4Y2 C14 H17 Cl N4 S Cc1c(nc(nc....
41 4DDL ic50 = 4.9 nM 0JQ C24 H30 N4 O3 Cc1cc(cnc1....
42 4P0N ic50 = 3.4 nM 1IR C18 H17 N5 O S COc1nc2ccc....
43 5EDG - 5MG C20 H12 Cl F3 N4 O2 c1ccc(cc1)....
44 6K9U - D4L C25 H29 N7 O Cc1ccc2c(c....
45 4LLX Ki = 1300 uM 5ZE C6 H9 N3 Cc1cc(nc(n....
46 5C28 Ki = 2.2 uM 4XV C8 H10 Cl N3 Cc1c(nc(nc....
47 2OUU - 35G C10 H12 N5 O7 P c1nc2c(n1[....
48 4MVH ic50 = 4.5 nM 2F5 C22 H19 N5 O3 c1ccc2c(c1....
49 4HEU ic50 = 0.097 nM 15J C24 H25 N5 O2 c1ccc2c(c1....
50 4LLJ Ki = 380 uM 1XN C8 H9 N3 c1ccc2c(c1....
51 3SNI ic50 = 11 nM 546 C18 H17 N5 O Cc1ccncc1c....
52 4HF4 ic50 = 2.4 nM 15H C24 H25 N5 O2 S C[C@@H](C1....
53 3SN7 ic50 = 0.7 nM 540 C19 H17 F N4 O Cc1cnccc1c....
54 4AEL ic50 = 12 nM 4HN C23 H17 N3 O2 CCOc1ccccc....
55 4LLK Ki = 990 uM MEW C9 H8 N2 O CC1=Nc2ccc....
56 4MSA Ki = 500 uM 2ZM C7 H5 N3 O2 c1cc2c(cc1....
57 4MS0 Ki = 410 uM 2ZX C4 H5 Cl N4 c1c(nc(nc1....
58 4LM0 Ki = 560 uM 5NI C7 H5 N3 O2 c1cc2c(cc1....
59 4DFF Ki = 35 nM 0JP C16 H15 N3 O2 S COc1cc2c(c....
60 3WI2 ic50 = 92 nM P98 C26 H23 N3 O CC(C)c1nc2....
61 4MRZ Ki = 300 uM 2ZV C6 H7 N3 O2 Cc1ccnc(c1....
62 4LM1 Ki = 590 uM 7ZE C9 H6 N2 O2 c1cc2c(ccc....
63 5DH4 Ki = 58 nM 5AV C12 H12 Cl N5 S Cc1c(sc(n1....
64 5XUJ - 8G6 C13 H10 Cl N3 Cc1cc2nccc....
65 3UUO Ki = 11 nM 0CV C17 H21 N5 O Cc1cc(cc2c....
66 4MSN Ki = 94 uM 2ZQ C9 H6 N2 O2 c1cc2cccnc....
67 4XY2 ic50 = 8 nM 490 C25 H23 N5 O2 Cn1cc(c(n1....
70% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 5I2R ic50 = 0.019 uM 67A C20 H13 F3 N4 O2 c1ccc(cc1)....
2 4FCB ic50 = 2.9 nM 0T7 C25 H24 N4 O CCCc1nc(c2....
3 4LM3 Ki = 1200 uM 9ZE C10 H10 O3 CC(=O)c1cc....
4 5C29 Ki = 880 nM 4XY C11 H16 Cl N3 CCCNc1c(c(....
5 4MSC Ki = 1.1 uM 2ZT C19 H14 N2 O c1ccc2c(c1....
6 2OUQ - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
7 4MRW Ki = 500 uM MRW C9 H6 Cl N O c1cc2c(ccn....
8 6MSC ic50 = 21 nM JY7 C17 H14 F N5 O Cc1cnccc1c....
9 5C2E Ki = 2 nM 4Y1 C18 H20 Cl N5 O S Cc1c(nc(nc....
10 4LKQ Ki = 450 uM 1XM C5 H5 N5 S c1c2c([nH]....
11 3LXG ic50 = 7.28 nM Z73 C15 H18 N4 O CCCc1nc(c2....
12 5AXP ic50 = 0.94 nM 4LK C23 H18 F N5 O4 COC1=CN(N=....
13 4ZO5 Ki = 0.15 nM 4Q0 C28 H25 N3 O5 CC(C)Oc1cc....
14 5C1W Ki = 8.7 uM 4XS C8 H8 Cl2 N2 Cc1c(nc(nc....
15 3UI7 Ki = 1 nM C1L C18 H22 N4 O2 Cc1cc(cc2c....
16 2OUY - CMP C10 H12 N5 O6 P c1nc(c2c(n....
17 3SNL ic50 = 0.7 nM 548 C19 H14 Cl F3 N4 Cc1cnccc1c....
18 4LM4 Ki = 910 uM JPZ C8 H6 N2 O c1ccc2c(c1....
19 2OUN - AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 6MSA ic50 = 5 nM JY4 C12 H12 N4 O2 Cc1c2c3cc(....
21 5EDI ic50 = 0.3 nM 5M9 C17 H22 Cl N7 Cc1cc(c(n2....
22 2OUR - CMP C10 H12 N5 O6 P c1nc(c2c(n....
23 2Y0J ic50 = 12 nM AXC C18 H14 N6 S Cc1nc2c3cc....
24 4FCD ic50 = 0.28 nM 0T6 C18 H15 Cl N4 O2 Cc1c2nnc3c....
25 5B4L ic50 = 0.76 nM 6DW C28 H27 N7 O2 c1ccc(cc1)....
26 5C2H Ki = 0.0082 nM 4XU C23 H24 Cl N5 O S Cc1c(nc(nc....
27 4YS7 ic50 = 0.001 uM 4GK C20 H19 N7 Cc1cnc(c2n....
28 5EDH - 5MF C17 H24 N8 CCc1cnc(n2....
29 4PHW ic50 = 0.1 nM 2W1 C24 H21 N3 O3 c1ccc2c(c1....
30 4BBX ic50 = 60 nM LKF C18 H24 N6 O2 Cc1c(n2ccn....
31 5DH5 Ki = 0.23 nM 5AY C20 H21 N7 O Cn1cc(cn1)....
32 4P1R ic50 = 4.1 nM 2KR C19 H17 N5 O Cc1ccc(nc1....
33 6KDX ic50 = 294 nM D6X C18 H18 N6 Cc1cc(n2c(....
34 4LLP Ki = 16 uM 4ZE C7 H9 N O Cc1cc(ccc1....
35 5UWF ic50 = 0.059 uM 8Q7 C22 H19 F2 N5 O3 S COc1ccc(cc....
36 4MSH Ki = 210 uM 2D0 C7 H5 Cl N2 S c1cc2c(c(c....
37 5AXQ ic50 = 0.08 nM 4LP C28 H26 F N5 O3 CC1(c2c(cc....
38 4LM2 Ki = 940 uM 8ZE C9 H10 O3 c1cc2c(cc1....
39 4YQH ic50 = 0.009 uM 4F7 C19 H16 N4 c1ccc(cc1)....
40 5C2A Ki = 4.8 nM 4Y2 C14 H17 Cl N4 S Cc1c(nc(nc....
41 4DDL ic50 = 4.9 nM 0JQ C24 H30 N4 O3 Cc1cc(cnc1....
42 4P0N ic50 = 3.4 nM 1IR C18 H17 N5 O S COc1nc2ccc....
43 5EDG - 5MG C20 H12 Cl F3 N4 O2 c1ccc(cc1)....
44 6K9U - D4L C25 H29 N7 O Cc1ccc2c(c....
45 4LLX Ki = 1300 uM 5ZE C6 H9 N3 Cc1cc(nc(n....
46 5C28 Ki = 2.2 uM 4XV C8 H10 Cl N3 Cc1c(nc(nc....
47 2OUU - 35G C10 H12 N5 O7 P c1nc2c(n1[....
48 4MVH ic50 = 4.5 nM 2F5 C22 H19 N5 O3 c1ccc2c(c1....
49 4HEU ic50 = 0.097 nM 15J C24 H25 N5 O2 c1ccc2c(c1....
50 4LLJ Ki = 380 uM 1XN C8 H9 N3 c1ccc2c(c1....
51 3SNI ic50 = 11 nM 546 C18 H17 N5 O Cc1ccncc1c....
52 4HF4 ic50 = 2.4 nM 15H C24 H25 N5 O2 S C[C@@H](C1....
53 3SN7 ic50 = 0.7 nM 540 C19 H17 F N4 O Cc1cnccc1c....
54 4AEL ic50 = 12 nM 4HN C23 H17 N3 O2 CCOc1ccccc....
55 4LLK Ki = 990 uM MEW C9 H8 N2 O CC1=Nc2ccc....
56 4MSA Ki = 500 uM 2ZM C7 H5 N3 O2 c1cc2c(cc1....
57 4MS0 Ki = 410 uM 2ZX C4 H5 Cl N4 c1c(nc(nc1....
58 4LM0 Ki = 560 uM 5NI C7 H5 N3 O2 c1cc2c(cc1....
59 4DFF Ki = 35 nM 0JP C16 H15 N3 O2 S COc1cc2c(c....
60 3WI2 ic50 = 92 nM P98 C26 H23 N3 O CC(C)c1nc2....
61 4MRZ Ki = 300 uM 2ZV C6 H7 N3 O2 Cc1ccnc(c1....
62 4LM1 Ki = 590 uM 7ZE C9 H6 N2 O2 c1cc2c(ccc....
63 5DH4 Ki = 58 nM 5AV C12 H12 Cl N5 S Cc1c(sc(n1....
64 5XUJ - 8G6 C13 H10 Cl N3 Cc1cc2nccc....
65 3UUO Ki = 11 nM 0CV C17 H21 N5 O Cc1cc(cc2c....
66 4MSN Ki = 94 uM 2ZQ C9 H6 N2 O2 c1cc2cccnc....
67 4XY2 ic50 = 8 nM 490 C25 H23 N5 O2 Cn1cc(c(n1....
68 3HQW ic50 = 35 nM PF4 C21 H18 N2 O2 S COc1ccc(cc....
69 3QPO ic50 = 247 nM PFR C27 H28 N4 O2 COc1cc2c(c....
70 2OVV Ki = 12 nM PFH C24 H23 N3 O3 COc1cc2c(c....
71 3HR1 ic50 = 0.37 nM PF9 C25 H20 N4 O Cn1cc(c(n1....
72 3QPN ic50 = 17 nM PFK C20 H17 N3 O2 COc1cc2cnc....
73 3HQZ ic50 = 0.42 nM PF8 C24 H18 N4 O c1ccc2c(c1....
74 2O8H Ki = 25 nM 227 C24 H29 N5 O4 S CN1CCN(CC1....
75 3HQY ic50 = 11.5 nM PF6 C25 H20 N4 O c1ccc2c(c1....
76 2OVY Ki = 4 nM PFJ C22 H21 N5 O3 COc1cc2c(c....
77 3QPP ic50 = 12 nM PFW C31 H30 N4 O2 COc1cc2c(c....
50% Homology Family (230)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2CHM ic50 = 5.5 nM 3P4 C23 H29 N6 O3 CCc1c2c([n....
2 3TGG - 0H3 C23 H31 N5 O4 CCCOCCN1c2....
3 3HDZ ic50 = 51 nM PD6 C18 H19 N3 O CCCCN1C=CC....
4 3TGE ic50 = 0.07 nM TGE C24 H32 N6 O4 CCCOCCN1c2....
5 3B2R - VDN C23 H32 N6 O4 S CCCc1nc(c2....
6 2H44 ic50 = 1.7 uM 7CA C27 H32 O10 C[C@H]1[C@....
7 2H42 ic50 = 2.4 nM VIA C22 H30 N6 O4 S CCCc1c2c(n....
8 1T9S - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
9 4MD6 ic50 = 17 nM 24E C22 H15 N O3 S c1ccc2c(c1....
10 1UHO Kd ~ 0.6 nM VDN C23 H32 N6 O4 S CCCc1nc(c2....
11 1UDT Kd ~ 0.5 nM VIA C22 H30 N6 O4 S CCCc1c2c(n....
12 1RKP - IBM C10 H14 N4 O2 CC(C)CN1c2....
13 4IA0 ic50 = 77 nM 5BB C25 H37 Br N4 O4 S CCCCCCCCC1....
14 3SIE ic50 = 13.3 nM 5BO C20 H27 Br N4 O4 S CCCOc1ccc(....
15 3HC8 ic50 = 2.9 nM PD4 C24 H32 N6 O4 CCCOCCN1c2....
16 1XP0 ic50 = 0.001 uM VDN C23 H32 N6 O4 S CCCc1nc(c2....
17 1XOZ ic50 = 0.0012 uM CIA C22 H19 N3 O4 CN1CC(=O)N....
18 6L6E - E6L C23 H26 Cl N7 O3 COc1ccc(cc....
19 4I9Z ic50 = 18.2 nM 5BA C23 H31 Br N4 O3 CCCOc1ccc(....
20 1TBF - VIA C22 H30 N6 O4 S CCCc1c2c(n....
21 4OEX Kd = 0.000000064 M 5EO C20 H28 N4 O4 S CCCOc1ccc(....
22 4G2Y ic50 > 1000 nM NI5 C21 H28 N4 O4 S CCCOc1ccc(....
23 4OEW Kd = 0.000000064 M 5IO C20 H27 I N4 O4 S CCCOc1ccc(....
24 1Y2B ic50 = 82 uM DEE C8 H12 N2 O2 CCOC(=O)c1....
25 6IMD ic50 = 58.5 uM AH9 C12 H15 N O3 COc1cc2c(c....
26 1TBB - ROL C16 H21 N O3 COc1ccc(cc....
27 4W1O - 3GJ C19 H17 Cl2 N3 O4 CCc1cc(on1....
28 5LBO - 6M5 C33 H40 N6 O4 COc1ccc(cc....
29 6IMT ic50 = 0.25 uM AK0 C22 H23 F N2 O3 COc1cc2c(c....
30 6RCW - JX2 C30 H33 N3 O4 COc1ccc(cc....
31 6HWO Ki = 0.00000079 M FFZ C28 H29 N3 O3 CC(C)N1C(=....
32 6IMI ic50 = 26.1 uM AH6 C13 H17 N O3 CCOc1cc2c(....
33 6IMB ic50 = 58.5 uM AH9 C12 H15 N O3 COc1cc2c(c....
34 1ZKN - IBM C10 H14 N4 O2 CC(C)CN1c2....
35 6NJJ - KR7 C21 H15 Cl F3 N O2 c1cc(cc(c1....
36 3SL4 ic50 = 0.027 uM JN4 C21 H21 N3 O4 S C=CNC(=O)N....
37 1XOQ ic50 = 0.68 nM ROF C17 H14 Cl2 F2 N2 O3 c1cc(c(cc1....
38 1Y2E ic50 = 0.16 uM 5DE C14 H17 N3 O2 CCOC(=O)c1....
39 1PTW - AMP C10 H14 N5 O7 P c1nc(c2c(n....
40 6FTW - E6Z C25 H29 N3 O3 COc1ccc(cc....
41 5WQA ic50 = 0.011 uM J20 C36 H26 O5 COc1ccc(cc....
42 1Y2D ic50 = 2 uM 4DE C15 H18 N2 O3 CCOC(=O)c1....
43 6F8W ic50 = 23 uM D0E C22 H29 N3 O4 COc1ccc(cc....
44 6AKR - A0O C15 H16 O3 CC(=CCc1c(....
45 1XON ic50 = 0.021 nM PIL C18 H18 Cl2 N2 O3 COc1ccc(cc....
46 6NJH - KRD C19 H18 Cl N5 O CCc1nc(nc(....
47 1TB7 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
48 6FDC ic50 = 2.3 uM DD5 C22 H29 F2 N3 O4 c1cc(c(cc1....
49 6IND ic50 = 0.24 uM AKO C23 H26 N2 O3 Cc1ccc2c(c....
50 6INK ic50 = 0.27 uM AKU C22 H24 N2 O3 COc1cc2c(c....
51 6IMR ic50 = 4.3 uM AJX C23 H26 N2 O3 COc1cc2c(c....
52 1XOR ic50 = 0.39 uM ZAR C12 H10 F2 N2 O3 COc1cc(ccc....
53 3G4K ic50 = 288 nM ROL C16 H21 N O3 COc1ccc(cc....
54 1Y2C ic50 = 0.27 uM 3DE C14 H17 N2 O2 CCOC(=O)c1....
55 2FM0 ic50 = 0.4 nM M98 C23 H18 F8 N2 O4 S c1cc(c[n+]....
56 6KJZ ic50 = 420 nM MKU C24 H26 O6 CC(=CCc1c2....
57 6F8T ic50 = 7 uM CZT C22 H34 N2 O5 C[C@@H]1CN....
58 1Y2K ic50 = 0.021 uM 7DE C14 H15 N3 O4 CCOC(=O)c1....
59 1XOM ic50 = 0.011 uM CIO C20 H25 N O4 COc1ccc(cc....
60 6KK0 ic50 = 17 nM M36 C31 H36 O8 CC(=CCc1c2....
61 2PW3 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
62 6IM6 ic50 = 20.7 uM AH3 C13 H17 N O3 CCOc1cc2c(....
63 1Q9M ic50 = 0.33 uM ROL C16 H21 N O3 COc1ccc(cc....
64 4WCU ic50 = 3 nM 3KQ C24 H22 Cl2 N2 O5 COc1ccc(c(....
65 6F8U ic50 = 0.8 uM CZQ C21 H28 F2 N2 O5 C[C@@H]1CN....
66 6INM ic50 = 0.51 uM AKU C22 H24 N2 O3 COc1cc2c(c....
67 2FM5 ic50 = 43 nM M99 C23 H18 F8 N2 O4 S c1cc(c[n+]....
68 3G4I - D71 C19 H13 N5 O4 c1cc(cc(c1....
69 6F6U ic50 = 16 uM CV8 C21 H30 N2 O5 C[C@@H]1CN....
70 6F8V ic50 = 16 uM D0B C24 H33 N3 O4 C[C@@H]1CN....
71 6IMO ic50 = 0.65 uM AJL C21 H22 N2 O3 COc1cc2c(c....
72 3G4L ic50 = 5.8 nM ROF C17 H14 Cl2 F2 N2 O3 c1cc(c(cc1....
73 4G2J ic50 = 11 nM 0WF C21 H25 N5 O2 C[C@H](C1=....
74 3K3H - BYE C15 H12 Cl F3 N4 O C[C@@H](CC....
75 3DY8 - IBM C10 H14 N4 O2 CC(C)CN1c2....
76 3DYN - PCG C10 H12 N5 O7 P c1nc2c(n1[....
77 3DYQ - PCG C10 H12 N5 O7 P c1nc2c(n1[....
78 3JSW ic50 = 66 nM JAR C20 H25 N5 O C[C@@H]1C[....
79 3DYS - IBM C10 H14 N4 O2 CC(C)CN1c2....
80 4E90 ic50 = 8 nM 7RG C20 H25 N7 O2 C[C@@H]1C[....
81 5U7K ic50 = 7.1 nM 7Y1 C20 H22 N6 O CCCOc1cncc....
82 6CYD ic50 = 2 nM FKG C16 H15 F3 N4 O2 CC1=Nc2c(c....
83 5TZA ic50 = 0.001 uM 7OG C22 H21 N5 O Cc1cc(n2c(....
84 6C7G ic50 = 18.2 nM EOY C31 H34 Cl N5 O2 Cc1c2nnc(n....
85 5VP0 ic50 = 0.61 nM 9GJ C19 H18 F4 N4 O5 COC[C@H](c....
86 5U00 ic50 = 0.002 uM 7OV C18 H15 F3 I N5 O Cc1cc(n2c(....
87 5U7I ic50 = 66.6 nM 7XS C20 H25 N5 O2 CC(C)Cc1c2....
88 5U7J ic50 = 389.6 nM 7XV C18 H22 N4 O2 CC(C)Cc1nn....
89 5XKM ic50 = 24 nM 87R C18 H17 F3 N4 O2 CC[C@H](c1....
90 6B98 Ki = 22.4 uM D07 C7 H8 Cl N5 CNc1c2cnn(....
91 6B96 Ki = 14.3 nM CZV C15 H11 Cl F3 N5 c1cc(ccc1C....
92 5U7D ic50 = 0.5 nM 19F C27 H32 N4 O4 Cc1c2n(c(n....
93 6ZQZ ic50 = 24 nM QOQ C18 H19 Cl F2 N6 Cc1cc(cc(n....
94 5TZX ic50 = 0.052 uM 7OY C18 H15 Cl F3 N5 O Cc1cc(n2c(....
95 6C7I ic50 = 0.38 nM EP7 C22 H22 Cl N5 O2 Cc1c2nnc(n....
96 6CYB ic50 = 0.96 nM FKV C16 H12 F6 N4 O2 C[C@@H](c1....
97 6B97 Ki = 0.237 uM CZY C15 H13 Cl F3 N5 C[C@H](c1c....
98 5TZZ ic50 = 0.014 uM 7OJ C18 H15 Br F3 N5 O Cc1cc(n2c(....
99 5VP1 ic50 = 0.51 nM 9GA C22 H22 F3 N7 O3 Cc1cn2c(c(....
100 4HTX ic50 = 4.7 nM 19F C27 H32 N4 O4 Cc1c2n(c(n....
101 6EZF - C6Z C11 H8 Cl2 N2 S c1cc(c(cc1....
102 5TZ3 ic50 = 0.14 uM 7OM C22 H22 N6 O Cc1cc(n2c(....
103 5TZH ic50 = 0.679 uM 7OP C18 H16 F3 N5 O Cc1cc(n2c(....
104 6ZND ic50 = 66 nM QMZ C20 H23 N5 O4 COc1cc(cc(....
105 5TZC ic50 = 0.008 uM 7OJ C18 H15 Br F3 N5 O Cc1cc(n2c(....
106 3ITU ic50 = 40 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
107 6C7F ic50 = 0.00000001 M EOS C22 H22 Cl N5 O2 Cc1c2nnc(n....
108 6C7E ic50 = 0.24 nM EOG C18 H14 Cl N5 O Cc1c2nnc(n....
109 6C7J ic50 = 1.32 nM EPV C25 H28 Cl N5 O2 Cc1c2nnc(n....
110 4JIB ic50 = 45 nM 1L6 C23 H28 N6 O2 CCC(C)(C)c....
111 5U7L ic50 = 4.9 nM 7Y4 C24 H30 N8 CCc1ccc(cc....
112 4D09 ic50 = 1.7 nM 788 C24 H19 N5 O Cc1c2nnc(n....
113 6C7D ic50 = 0.17 nM EOJ C27 H26 Cl N5 O Cc1c2nnc(n....
114 5TZW ic50 = 0.987 uM 7P4 C18 H15 F4 N5 O Cc1cc(n2c(....
115 6CYC ic50 = 14 nM FKJ C15 H13 F3 N4 O3 C[C@@H](c1....
116 4D08 ic50 = 10 nM Q2T C24 H28 N6 O2 CCCCOc1cc(....
117 5I2R ic50 = 0.019 uM 67A C20 H13 F3 N4 O2 c1ccc(cc1)....
118 4FCB ic50 = 2.9 nM 0T7 C25 H24 N4 O CCCc1nc(c2....
119 4LM3 Ki = 1200 uM 9ZE C10 H10 O3 CC(=O)c1cc....
120 5C29 Ki = 880 nM 4XY C11 H16 Cl N3 CCCNc1c(c(....
121 4MSC Ki = 1.1 uM 2ZT C19 H14 N2 O c1ccc2c(c1....
122 2OUQ - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
123 4MRW Ki = 500 uM MRW C9 H6 Cl N O c1cc2c(ccn....
124 6MSC ic50 = 21 nM JY7 C17 H14 F N5 O Cc1cnccc1c....
125 5C2E Ki = 2 nM 4Y1 C18 H20 Cl N5 O S Cc1c(nc(nc....
126 4LKQ Ki = 450 uM 1XM C5 H5 N5 S c1c2c([nH]....
127 3LXG ic50 = 7.28 nM Z73 C15 H18 N4 O CCCc1nc(c2....
128 5AXP ic50 = 0.94 nM 4LK C23 H18 F N5 O4 COC1=CN(N=....
129 4ZO5 Ki = 0.15 nM 4Q0 C28 H25 N3 O5 CC(C)Oc1cc....
130 5C1W Ki = 8.7 uM 4XS C8 H8 Cl2 N2 Cc1c(nc(nc....
131 3UI7 Ki = 1 nM C1L C18 H22 N4 O2 Cc1cc(cc2c....
132 2OUY - CMP C10 H12 N5 O6 P c1nc(c2c(n....
133 3SNL ic50 = 0.7 nM 548 C19 H14 Cl F3 N4 Cc1cnccc1c....
134 4LM4 Ki = 910 uM JPZ C8 H6 N2 O c1ccc2c(c1....
135 2OUN - AMP C10 H14 N5 O7 P c1nc(c2c(n....
136 6MSA ic50 = 5 nM JY4 C12 H12 N4 O2 Cc1c2c3cc(....
137 5EDI ic50 = 0.3 nM 5M9 C17 H22 Cl N7 Cc1cc(c(n2....
138 2OUR - CMP C10 H12 N5 O6 P c1nc(c2c(n....
139 2Y0J ic50 = 12 nM AXC C18 H14 N6 S Cc1nc2c3cc....
140 4FCD ic50 = 0.28 nM 0T6 C18 H15 Cl N4 O2 Cc1c2nnc3c....
141 5B4L ic50 = 0.76 nM 6DW C28 H27 N7 O2 c1ccc(cc1)....
142 5C2H Ki = 0.0082 nM 4XU C23 H24 Cl N5 O S Cc1c(nc(nc....
143 4YS7 ic50 = 0.001 uM 4GK C20 H19 N7 Cc1cnc(c2n....
144 5EDH - 5MF C17 H24 N8 CCc1cnc(n2....
145 4PHW ic50 = 0.1 nM 2W1 C24 H21 N3 O3 c1ccc2c(c1....
146 4BBX ic50 = 60 nM LKF C18 H24 N6 O2 Cc1c(n2ccn....
147 5DH5 Ki = 0.23 nM 5AY C20 H21 N7 O Cn1cc(cn1)....
148 4P1R ic50 = 4.1 nM 2KR C19 H17 N5 O Cc1ccc(nc1....
149 6KDX ic50 = 294 nM D6X C18 H18 N6 Cc1cc(n2c(....
150 4LLP Ki = 16 uM 4ZE C7 H9 N O Cc1cc(ccc1....
151 5UWF ic50 = 0.059 uM 8Q7 C22 H19 F2 N5 O3 S COc1ccc(cc....
152 4MSH Ki = 210 uM 2D0 C7 H5 Cl N2 S c1cc2c(c(c....
153 5AXQ ic50 = 0.08 nM 4LP C28 H26 F N5 O3 CC1(c2c(cc....
154 4LM2 Ki = 940 uM 8ZE C9 H10 O3 c1cc2c(cc1....
155 4YQH ic50 = 0.009 uM 4F7 C19 H16 N4 c1ccc(cc1)....
156 5C2A Ki = 4.8 nM 4Y2 C14 H17 Cl N4 S Cc1c(nc(nc....
157 4DDL ic50 = 4.9 nM 0JQ C24 H30 N4 O3 Cc1cc(cnc1....
158 4P0N ic50 = 3.4 nM 1IR C18 H17 N5 O S COc1nc2ccc....
159 5EDG - 5MG C20 H12 Cl F3 N4 O2 c1ccc(cc1)....
160 6K9U - D4L C25 H29 N7 O Cc1ccc2c(c....
161 4LLX Ki = 1300 uM 5ZE C6 H9 N3 Cc1cc(nc(n....
162 5C28 Ki = 2.2 uM 4XV C8 H10 Cl N3 Cc1c(nc(nc....
163 2OUU - 35G C10 H12 N5 O7 P c1nc2c(n1[....
164 4MVH ic50 = 4.5 nM 2F5 C22 H19 N5 O3 c1ccc2c(c1....
165 4HEU ic50 = 0.097 nM 15J C24 H25 N5 O2 c1ccc2c(c1....
166 4LLJ Ki = 380 uM 1XN C8 H9 N3 c1ccc2c(c1....
167 3SNI ic50 = 11 nM 546 C18 H17 N5 O Cc1ccncc1c....
168 4HF4 ic50 = 2.4 nM 15H C24 H25 N5 O2 S C[C@@H](C1....
169 3SN7 ic50 = 0.7 nM 540 C19 H17 F N4 O Cc1cnccc1c....
170 4AEL ic50 = 12 nM 4HN C23 H17 N3 O2 CCOc1ccccc....
171 4LLK Ki = 990 uM MEW C9 H8 N2 O CC1=Nc2ccc....
172 4MSA Ki = 500 uM 2ZM C7 H5 N3 O2 c1cc2c(cc1....
173 4MS0 Ki = 410 uM 2ZX C4 H5 Cl N4 c1c(nc(nc1....
174 4LM0 Ki = 560 uM 5NI C7 H5 N3 O2 c1cc2c(cc1....
175 4DFF Ki = 35 nM 0JP C16 H15 N3 O2 S COc1cc2c(c....
176 3WI2 ic50 = 92 nM P98 C26 H23 N3 O CC(C)c1nc2....
177 4MRZ Ki = 300 uM 2ZV C6 H7 N3 O2 Cc1ccnc(c1....
178 4LM1 Ki = 590 uM 7ZE C9 H6 N2 O2 c1cc2c(ccc....
179 5DH4 Ki = 58 nM 5AV C12 H12 Cl N5 S Cc1c(sc(n1....
180 5XUJ - 8G6 C13 H10 Cl N3 Cc1cc2nccc....
181 3UUO Ki = 11 nM 0CV C17 H21 N5 O Cc1cc(cc2c....
182 4MSN Ki = 94 uM 2ZQ C9 H6 N2 O2 c1cc2cccnc....
183 4XY2 ic50 = 8 nM 490 C25 H23 N5 O2 Cn1cc(c(n1....
184 5LAQ Ki = 0.63 nM 6M5 C33 H40 N6 O4 COc1ccc(cc....
185 3SHZ ic50 = 35.9 nM 5CO C20 H27 Cl N4 O4 S CCCOc1ccc(....
186 4G2W ic50 = 1.6 nM NI0 C22 H32 N4 O4 S CCCOc1ccc(....
187 3QI4 ic50 = 117.2 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
188 4QGE Ki = 0.5 nM 35O C20 H24 N6 O3 C[C@H](C(=....
189 3QI3 - PDB C15 H12 Cl F3 N4 O C[C@H](CC1....
190 4Y86 ic50 = 58 nM 49E C18 H20 Cl N5 O CC(c1ccc(c....
191 3ECN ic50 = 698 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
192 3HQW ic50 = 35 nM PF4 C21 H18 N2 O2 S COc1ccc(cc....
193 3QPO ic50 = 247 nM PFR C27 H28 N4 O2 COc1cc2c(c....
194 2OVV Ki = 12 nM PFH C24 H23 N3 O3 COc1cc2c(c....
195 3HR1 ic50 = 0.37 nM PF9 C25 H20 N4 O Cn1cc(c(n1....
196 3QPN ic50 = 17 nM PFK C20 H17 N3 O2 COc1cc2cnc....
197 3HQZ ic50 = 0.42 nM PF8 C24 H18 N4 O c1ccc2c(c1....
198 2O8H Ki = 25 nM 227 C24 H29 N5 O4 S CN1CCN(CC1....
199 3HQY ic50 = 11.5 nM PF6 C25 H20 N4 O c1ccc2c(c1....
200 2OVY Ki = 4 nM PFJ C22 H21 N5 O3 COc1cc2c(c....
201 3QPP ic50 = 12 nM PFW C31 H30 N4 O2 COc1cc2c(c....
202 2QYK ic50 = 3.3 uM NPV C21 H13 N3 O4 c1cc(cc(c1....
203 3GWT ic50 = 7.94 pM 066 C27 H26 N4 O5 S Cc1cc(cc2c....
204 3WD9 ic50 = 8.3 nM QPC C24 H27 N5 O2 CC(C)(C)CN....
205 4KP6 ic50 = 0.87 nM 1S1 C12 H17 N9 CCC(CC)(C#....
206 4NW7 ic50 = 237 nM 2O5 C20 H17 Cl N4 O2 c1cc(cc(c1....
207 3FRG ic50 = 3.98 nM SK4 C18 H17 N3 O4 S COc1cccc(c....
208 1RO9 - 8BR C10 H13 Br N5 O7 P c1nc(c2c(n....
209 1XOT ic50 = 3.8 uM VDN C23 H32 N6 O4 S CCCc1nc(c2....
210 1XLX ic50 = 0.025 uM CIO C20 H25 N O4 COc1ccc(cc....
211 3O57 ic50 = 79.4 pM ZG2 C29 H34 N6 O3 CCn1c2c(cn....
212 3HMV - HBT C17 H17 N3 O4 S C[C@H]1CCc....
213 3O56 ic50 = 794 pM ZG1 C21 H27 N7 O3 CCn1c2c(cn....
214 1XLZ ic50 = 0.96 uM FIL C15 H20 N2 O4 C/C(=NOC(=....
215 1XN0 ic50 = 0.57 uM ROL C16 H21 N O3 COc1ccc(cc....
216 1TB5 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
217 3D3P ic50 = 3.1 nM 20A C21 H25 N5 O2 CCn1c2c(cn....
218 3W5E ic50 = 11 nM NVW C25 H28 N4 O3 S CC(C)(C)NC....
219 4MYQ ic50 = 32 nM 19T C19 H18 Cl N3 O2 S CCc1c(nc(n....
220 2QYL ic50 = 0.65 uM NPV C21 H13 N3 O4 c1cc(cc(c1....
221 1XOS ic50 = 20 uM VIA C22 H30 N6 O4 S CCCc1c2c(n....
222 1XM6 ic50 = 0.42 uM 5RM C14 H19 N O4 CCCOc1cc(c....
223 1RO6 Ki ~ 375 nM ROL C16 H21 N O3 COc1ccc(cc....
224 1Y2H ic50 = 0.056 uM 6DE C14 H15 Cl N2 O2 CCOC(=O)c1....
225 1ROR - AMP C10 H14 N5 O7 P c1nc(c2c(n....
226 5UOY ic50 = 0.027 uM 8HM C24 H27 N5 O3 S COc1ccc(cc....
227 5W6E ic50 = 9.1 nM 0NY C17 H21 N5 O2 Cc1cc([nH]....
228 5B25 Ki = 0.058 nM 4QJ C29 H26 F N7 O CN1C(=O)c2....
229 5UP0 ic50 = 0.46 uM 8HP C18 H15 Cl N4 O S c1cc(ccc1C....
230 3G4G ic50 = 19 nM D71 C19 H13 N5 O4 c1cc(cc(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2ZX; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 2ZX 1 1
2 3AY 0.5 0.84375
Similar Ligands (3D)
Ligand no: 1; Ligand: 2ZX; Similar ligands found: 636
No: Ligand Similarity coefficient
1 13X 1.0000
2 AX2 1.0000
3 6UA 1.0000
4 5ZE 0.9989
5 WDL 0.9967
6 BR8 0.9965
7 ERH 0.9946
8 5AN 0.9920
9 TCZ 0.9869
10 2DR 0.9801
11 S76 0.9770
12 CRS 0.9761
13 284 0.9705
14 LG5 0.9700
15 RCO 0.9688
16 URA 0.9685
17 LG3 0.9671
18 26D 0.9667
19 CYT 0.9666
20 8GF 0.9660
21 BVF 0.9654
22 3CH 0.9635
23 2A7 0.9626
24 ZZ3 0.9620
25 4H2 0.9619
26 B3R 0.9615
27 35C 0.9612
28 CIG 0.9601
29 7MH 0.9600
30 T6C 0.9597
31 AUD 0.9582
32 JIF 0.9582
33 HHQ 0.9579
34 HEW 0.9574
35 M3T 0.9563
36 DUC 0.9557
37 HGQ 0.9542
38 47J 0.9509
39 DUB 0.9507
40 PYG 0.9507
41 12M 0.9502
42 XYP 0.9494
43 6MH 0.9488
44 TBP 0.9487
45 IDH 0.9473
46 MBD 0.9468
47 2MY 0.9460
48 2CM 0.9453
49 3FA 0.9452
50 2C9 0.9435
51 3CE 0.9421
52 25W 0.9411
53 G6D 0.9410
54 JFD 0.9400
55 BTE 0.9396
56 JZ3 0.9395
57 94N 0.9395
58 ADE 0.9391
59 7HP 0.9386
60 FLM 0.9382
61 HPA 0.9380
62 PM6 0.9379
63 FFP 0.9364
64 285 0.9362
65 9DA 0.9361
66 3MC 0.9361
67 ES4 0.9355
68 HPY 0.9354
69 CYH 0.9353
70 9HX 0.9347
71 3MH 0.9344
72 BP1 0.9341
73 TM4 0.9339
74 9DG 0.9329
75 AHR 0.9328
76 H3M 0.9326
77 GUN 0.9325
78 FUL 0.9320
79 1XM 0.9317
80 GMN 0.9303
81 6MP 0.9303
82 II6 0.9302
83 MCT 0.9294
84 RSF 0.9294
85 BR9 0.9293
86 URF 0.9292
87 3ZQ 0.9291
88 3MA 0.9288
89 A1U 0.9288
90 M2H 0.9285
91 MWM 0.9283
92 MZG 0.9283
93 XAN 0.9282
94 7WA 0.9281
95 10L 0.9276
96 SWD 0.9276
97 4HO 0.9276
98 BOA 0.9272
99 AZA 0.9272
100 NK 0.9271
101 A2F 0.9269
102 LXC 0.9268
103 141 0.9267
104 WBU 0.9267
105 XBZ 0.9266
106 ADK 0.9265
107 ORO 0.9263
108 2AC 0.9262
109 XXR 0.9260
110 4ZE 0.9260
111 ICP 0.9256
112 TM7 0.9255
113 40O 0.9255
114 23A 0.9254
115 6AP 0.9253
116 MWJ 0.9252
117 27Y 0.9250
118 CXL 0.9246
119 DX4 0.9246
120 IGA 0.9246
121 4CL 0.9244
122 3Z7 0.9240
123 GIO 0.9238
124 92Z 0.9234
125 4JJ 0.9234
126 YH7 0.9231
127 HT4 0.9231
128 CAQ 0.9229
129 278 0.9227
130 43M 0.9227
131 286 0.9227
132 XYD 0.9226
133 2YU 0.9224
134 HAI 0.9224
135 TDR 0.9223
136 G3F 0.9222
137 Y8I 0.9220
138 290 0.9219
139 282 0.9216
140 AZG 0.9216
141 5JC 0.9215
142 NMJ 0.9214
143 DFB 0.9213
144 GCS 0.9212
145 JZ2 0.9212
146 BGC 0.9211
147 FUC 0.9203
148 FP2 0.9200
149 F5B 0.9197
150 L89 0.9194
151 4JO 0.9191
152 0CU 0.9189
153 FCB 0.9188
154 IPH 0.9188
155 MFB 0.9184
156 76X 0.9184
157 GLC 0.9181
158 XYS 0.9180
159 5UC 0.9177
160 5MH 0.9177
161 OXC 0.9177
162 QOS 0.9175
163 1XN 0.9175
164 R8A 0.9172
165 34D 0.9170
166 1AN 0.9169
167 4ZC 0.9168
168 C2A 0.9167
169 1MC 0.9161
170 8S0 0.9160
171 938 0.9160
172 HH5 0.9160
173 CFP 0.9160
174 FPI 0.9157
175 TH0 0.9156
176 8LG 0.9154
177 IFM 0.9154
178 6X8 0.9152
179 D1X 0.9150
180 BCP 0.9149
181 34A 0.9147
182 275 0.9146
183 SAL 0.9146
184 HSL 0.9146
185 MMZ 0.9144
186 93Q 0.9143
187 MBN 0.9143
188 0R0 0.9142
189 RNS 0.9142
190 RM4 0.9140
191 BEW 0.9137
192 KIA 0.9135
193 WOT 0.9134
194 TLD 0.9131
195 MB3 0.9127
196 IPZ 0.9126
197 4AP 0.9125
198 DIE 0.9123
199 TTO 0.9122
200 GAL 0.9121
201 DOR 0.9121
202 HTS 0.9118
203 KSW 0.9118
204 JZ0 0.9117
205 PYD 0.9112
206 PIH 0.9111
207 2CH 0.9111
208 XQG 0.9111
209 2MP 0.9111
210 AMC 0.9110
211 R8S 0.9110
212 3AP 0.9109
213 2AF 0.9108
214 2AP 0.9106
215 DTI 0.9104
216 Q88 0.9103
217 ABN 0.9098
218 FYU 0.9096
219 GXE 0.9094
220 4XR 0.9090
221 9PO 0.9085
222 HHN 0.9085
223 HVK 0.9085
224 8CL 0.9084
225 EXO 0.9084
226 P3K 0.9083
227 OXE 0.9083
228 RIB 0.9082
229 DGY 0.9082
230 NEQ 0.9081
231 HGW 0.9079
232 24T 0.9078
233 LGA 0.9077
234 1XX 0.9074
235 HRZ 0.9071
236 2IM 0.9069
237 280 0.9066
238 H76 0.9064
239 F81 0.9061
240 GBD 0.9057
241 DMI 0.9054
242 NOJ 0.9054
243 OXQ 0.9053
244 HY3 0.9051
245 AW5 0.9050
246 261 0.9048
247 IUR 0.9045
248 EV0 0.9045
249 149 0.9043
250 4CS 0.9043
251 FUF 0.9043
252 E60 0.9038
253 JBE 0.9038
254 SYN 0.9035
255 23W 0.9033
256 6GU 0.9032
257 3XX 0.9030
258 GAG 0.9026
259 HBX 0.9024
260 AS3 0.9021
261 AZF 0.9019
262 MLT 0.9017
263 2FG 0.9016
264 KIB 0.9015
265 BMA 0.9015
266 ECE 0.9014
267 A2Q 0.9013
268 GLA 0.9012
269 OXZ 0.9011
270 ICC 0.9007
271 MSN 0.9004
272 5CL 0.9001
273 ARA 0.9001
274 7CZ 0.8999
275 BE2 0.8998
276 64K 0.8997
277 5AC 0.8995
278 4XX 0.8991
279 7HQ 0.8990
280 7EX 0.8984
281 ISE 0.8983
282 GIF 0.8982
283 RIP 0.8981
284 KYD 0.8980
285 HMH 0.8974
286 HYN 0.8972
287 JZ1 0.8972
288 SVN 0.8971
289 G4D 0.8971
290 4SV 0.8970
291 0MK 0.8969
292 ZZT 0.8969
293 ES0 0.8966
294 AGK 0.8966
295 HJP 0.8965
296 FPK 0.8964
297 TMT 0.8963
298 FCA 0.8962
299 PY7 0.8960
300 M1E 0.8960
301 L60 0.8960
302 INS 0.8959
303 RP7 0.8956
304 O7U 0.8955
305 SER 0.8955
306 ARB 0.8954
307 NBE 0.8954
308 1MR 0.8954
309 93B 0.8951
310 3NT 0.8948
311 1WD 0.8948
312 CEJ 0.8946
313 CWM 0.8945
314 APY 0.8938
315 Z6J 0.8937
316 RAM 0.8936
317 GAB 0.8936
318 I3A 0.8935
319 C2U 0.8933
320 HH8 0.8932
321 0TR 0.8931
322 TMZ 0.8931
323 ES6 0.8930
324 V1L 0.8929
325 HMU 0.8927
326 24W 0.8924
327 PYF 0.8922
328 SEJ 0.8922
329 TFU 0.8921
330 60P 0.8917
331 OVV 0.8913
332 DXX 0.8912
333 3HB 0.8910
334 YHO 0.8910
335 PYJ 0.8909
336 DFU 0.8908
337 5RG 0.8907
338 1GN 0.8907
339 9EW 0.8906
340 FPY 0.8905
341 YAN 0.8902
342 3AB 0.8902
343 42A 0.8902
344 3U4 0.8901
345 5Q0 0.8901
346 4AX 0.8900
347 B2J 0.8899
348 FP1 0.8899
349 CYS 0.8898
350 F0J 0.8892
351 GIV 0.8892
352 IJZ 0.8886
353 JKE 0.8883
354 3F0 0.8883
355 FOT 0.8882
356 WCE 0.8882
357 8GC 0.8879
358 DPF 0.8875
359 5SG 0.8875
360 7NI 0.8874
361 2H5 0.8873
362 GTQ 0.8873
363 B53 0.8872
364 3DM 0.8872
365 GVH 0.8870
366 1DW 0.8869
367 ZWZ 0.8868
368 MAN 0.8867
369 LZM 0.8866
370 V55 0.8865
371 5M0 0.8865
372 0RW 0.8865
373 6CS 0.8865
374 VNJ 0.8864
375 4XH 0.8863
376 HX3 0.8862
377 LGC 0.8860
378 7WV 0.8859
379 B24 0.8858
380 IP0 0.8857
381 1LQ 0.8854
382 9TY 0.8851
383 PXL 0.8850
384 B55 0.8850
385 F05 0.8848
386 N5J 0.8847
387 MEV 0.8847
388 1NP 0.8847
389 2XX 0.8846
390 9MG 0.8845
391 UNC 0.8844
392 8IG 0.8844
393 BCF 0.8839
394 4YS 0.8839
395 9X7 0.8839
396 45C 0.8838
397 DHK 0.8837
398 SX1 0.8836
399 54G 0.8836
400 MPI 0.8835
401 XIX 0.8835
402 HLR 0.8835
403 2AL 0.8832
404 6HQ 0.8831
405 URC 0.8831
406 7B4 0.8829
407 MBG 0.8829
408 3HA 0.8828
409 53C 0.8827
410 MT0 0.8826
411 BZF 0.8826
412 HQY 0.8826
413 BBF 0.8825
414 1LM 0.8823
415 ES1 0.8823
416 150 0.8823
417 PFB 0.8822
418 51F 0.8822
419 F4Z 0.8822
420 JBH 0.8821
421 AKH 0.8821
422 JPZ 0.8821
423 4PW 0.8820
424 IND 0.8820
425 5IQ 0.8818
426 PAF 0.8818
427 PHT 0.8816
428 VAL 0.8815
429 HZQ 0.8814
430 BZI 0.8812
431 25T 0.8812
432 BRT 0.8812
433 YIO 0.8811
434 3MG 0.8811
435 0R1 0.8810
436 DBH 0.8810
437 5WX 0.8809
438 SHG 0.8808
439 5HN 0.8808
440 DEN 0.8806
441 GYE 0.8805
442 TC7 0.8803
443 9TZ 0.8803
444 42C 0.8802
445 NTM 0.8802
446 LZ1 0.8801
447 KOJ 0.8800
448 URQ 0.8798
449 Q6T 0.8791
450 LG4 0.8791
451 L3Q 0.8791
452 GLY PRO 0.8791
453 HFB 0.8790
454 1SQ 0.8790
455 YTB 0.8789
456 PCR 0.8789
457 N8P 0.8787
458 1WG 0.8787
459 2CQ 0.8787
460 9CL 0.8786
461 3SK 0.8786
462 495 0.8785
463 N7P 0.8784
464 CIZ 0.8782
465 YSO 0.8782
466 R2B 0.8781
467 M1Q 0.8780
468 IDM 0.8780
469 0CT 0.8780
470 JZ9 0.8780
471 3M0 0.8779
472 UEG 0.8779
473 25R 0.8777
474 6M4 0.8777
475 2D0 0.8776
476 5MK 0.8775
477 3OC 0.8775
478 PCI 0.8774
479 IBF 0.8774
480 FE DB1 0.8773
481 GDE 0.8772
482 HCS 0.8767
483 8TX 0.8765
484 PXY 0.8762
485 39A 0.8761
486 4M4 0.8760
487 X6X 0.8759
488 O72 0.8759
489 RM1 0.8757
490 ASP 0.8756
491 6LW 0.8754
492 KBG 0.8752
493 3BZ 0.8751
494 32O 0.8750
495 BZX 0.8749
496 HQE 0.8747
497 ITN 0.8744
498 M1A 0.8743
499 5MB 0.8742
500 PZA 0.8742
501 BTY 0.8741
502 MO8 0.8739
503 82I 0.8739
504 24B 0.8738
505 BML 0.8737
506 F3B 0.8736
507 PLQ 0.8736
508 4HS 0.8735
509 3RK 0.8731
510 BEN 0.8730
511 DMG 0.8727
512 ES9 0.8726
513 4JP 0.8723
514 OEM 0.8723
515 SF9 0.8722
516 6M9 0.8720
517 LRH 0.8720
518 EQT 0.8720
519 2K4 0.8719
520 4CH 0.8718
521 PE0 0.8716
522 6AI 0.8716
523 ADZ 0.8716
524 LSA 0.8715
525 FPN 0.8715
526 DQN 0.8712
527 GAF 0.8711
528 1P3 0.8711
529 67N 0.8710
530 CRN 0.8710
531 DA1 0.8710
532 G2F 0.8710
533 DIU 0.8709
534 NCA 0.8707
535 EUG 0.8703
536 5MI 0.8703
537 FRU 0.8703
538 KLW 0.8700
539 4XV 0.8699
540 HSE 0.8699
541 4JN 0.8696
542 DGJ 0.8696
543 75K 0.8695
544 AZ8 0.8695
545 GOO 0.8694
546 IOL 0.8693
547 RUU 0.8693
548 QX2 0.8693
549 3MB 0.8691
550 DRL 0.8689
551 BEZ 0.8687
552 4HM 0.8687
553 5JL 0.8687
554 260 0.8685
555 6F0 0.8685
556 HLZ 0.8684
557 H4N 0.8684
558 2KT 0.8683
559 5NU 0.8682
560 MLI 0.8680
561 LMR 0.8680
562 M6N 0.8678
563 5JQ 0.8677
564 GRE 0.8676
565 FK1 0.8676
566 NBZ 0.8675
567 2ZV 0.8672
568 5H1 0.8671
569 FDB 0.8671
570 HHA 0.8670
571 TZE 0.8670
572 4HC 0.8670
573 14O 0.8669
574 NVI 0.8664
575 QWW 0.8664
576 329 0.8662
577 R1X 0.8661
578 FGZ 0.8660
579 KPL 0.8660
580 AJ2 0.8659
581 D07 0.8656
582 7VS 0.8656
583 KIV 0.8656
584 ABE 0.8654
585 NIO 0.8653
586 GXL 0.8651
587 MAK 0.8649
588 BVC 0.8646
589 JBK 0.8645
590 3IT 0.8644
591 M5K 0.8643
592 MLA 0.8640
593 DBJ 0.8640
594 Q24 0.8638
595 4XS 0.8637
596 270 0.8636
597 I1N 0.8636
598 MEW 0.8629
599 F60 0.8628
600 12B 0.8627
601 FDK 0.8626
602 DSN 0.8621
603 AX7 0.8620
604 LER 0.8617
605 11S 0.8617
606 FW5 0.8617
607 QSH 0.8614
608 EDG 0.8613
609 1AB 0.8611
610 QPR 0.8609
611 J9W 0.8604
612 5OB 0.8603
613 PBR 0.8600
614 LYL 0.8593
615 M0Q 0.8593
616 2MI 0.8592
617 5CU 0.8592
618 AQO 0.8591
619 7VJ 0.8587
620 THR 0.8587
621 3AL 0.8580
622 KT7 0.8579
623 1DH 0.8577
624 UAN 0.8575
625 2RA 0.8574
626 1P7 0.8569
627 DAB 0.8564
628 FUB 0.8563
629 8NY 0.8562
630 KG7 0.8562
631 ASO 0.8560
632 SR1 0.8556
633 G5V 0.8549
634 VGL 0.8546
635 F12 0.8543
636 8WT 0.8539
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5C2H; Ligand: 4PX; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5c2h.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 4Y2B EPK 38.1215
Pocket No.: 2; Query (leader) PDB : 5C2H; Ligand: 4XU; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 5c2h.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 4Y2B EPK 38.1215
2 5OHJ 9VE 38.3978
3 3BJC WAN 47.5138
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