Receptor
PDB id Resolution Class Description Source Keywords
6d1k 1.2 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF NDM-1 COMPLEXED WITH COMPOUND 14 KLEBSIELLA PNEUMONIAE BETA-LACTAMASE CARBAPENEMASE PHOSPHONATE INHIBITOR HYDROHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: HETEROARYL PHOSPHONATES AS NONCOVALENT INHIBITORS O SERINE- AND METALLOCARBAPENEMASES. J.MED.CHEM. V. 62 8480 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:304;
A:305;
 Invalid;
Invalid;
 none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
ZN A:301;
A:302;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
M3Q A:303;
 Valid;
 none;
 Ki = 741.3 uM
223.165 C10 H10 N O3 P c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6LJ1 1.15 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIV WSS02127 MONOMER KLEBSIELLA PNEUMONIAE NDM-1 METALLO-BETA-LACTAMASE ANTIBIOTIC RESISTENT INHIBITCOMPOUNDS ANTIBIOTIC HYDROLASE
Ref.: STRUCTURE-GUIDED OPTIMIZATION OF D-CAPTOPRIL FOR DI OF POTENT NDM-1 INHIBITORS. BIOORG.MED.CHEM. V. 29 15902 2020
Members (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 6D1H Ki = 190.2 uM KED C10 H10 N O4 P c1ccc2c(c1....
2 6V1M - QNA C10 H9 B F O5 [B-]1([C@@....
3 6OVZ - N9M C9 H9 N O5 c1ccc(cc1)....
4 6D1B Ki = 123.7 uM FUJ C11 H11 O6 P COc1ccc2c(....
5 6LJ6 ic50 = 11.1 uM EFF C10 H18 N2 O2 S C[C@H](CS)....
6 6LJ8 ic50 = 19.8 uM EG0 C11 H19 N O3 S C[C@H](CS)....
7 4RL0 - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
8 5O2E - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
9 5YPN - LMP C17 H27 N3 O6 S C[C@H]1[C@....
10 6NY7 - L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
11 6LJ0 ic50 = 6.9 uM EER C10 H17 N O3 S C[C@H](CS)....
12 5YPK - HIW C12 H19 N3 O5 S [H]/N=CNCC....
13 5O2F - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
14 6D1E - XJE C12 H13 O6 P Cc1cc2c(c(....
15 6D1D Ki = 33.8 uM GTV C12 H13 O5 P Cc1cc(c2c(....
16 4RL2 - 3S3 C16 H20 N3 O5 S C[C@@H]1CS....
17 6RMF - K9B C19 H29 B N3 O6 [B-]1([C@H....
18 6EFJ Ki = 477 uM O5E C15 H14 N6 O c1ccc(cc1)....
19 6D1I Ki = 81 uM T6Z C11 H12 N O4 P CN1c2ccccc....
20 5YPI - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
21 5ZGE - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
22 6LJ5 ic50 = 4.9 uM EF0 C10 H17 N O3 S C[C@H](CS)....
23 5ZGR - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
24 6LJ2 ic50 = 4.6 uM EKX C14 H17 N O3 S C[C@H](CS)....
25 6MDU Ki = 56 uM N1G C17 H13 N7 O c1ccc(cc1)....
26 5YPM - 8YL C17 H27 N3 O6 S C[C@@H]1[C....
27 4EYF - PNK C16 H20 N2 O5 S CC1([C@@H]....
28 4EYB - 0WO C19 H21 N3 O6 S Cc1c(c(no1....
29 5ZGQ - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
30 6D1F - P9T C10 H7 F2 O5 P c1c(cc(c2c....
31 6O3R - XJE C12 H13 O6 P Cc1cc2c(c(....
32 6LIZ ic50 = 20.4 uM EEO C11 H19 N O3 S C[C@H](CS)....
33 6LIP ic50 = 75 uM EEL C9 H15 N O3 S2 C1C[C@@H](....
34 6D1A Ki = 44.3 uM TWB C12 H13 O5 P Cc1cc2c(cc....
35 4EYL - 0RV C17 H25 N3 O6 S CC1=C(C(=N....
36 6LJ7 ic50 = 27.9 uM EFR C11 H20 N2 O2 S C[C@H](CS)....
37 6D1K Ki = 741.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
38 4EY2 - 0RM C17 H22 N2 O7 S CC1([C@@H]....
39 6D1J Ki = 56.2 uM 7SX C12 H14 N O4 P Cc1cc(c2c(....
40 6TGD - N8Q C12 H14 N4 O S c1cc(cnc1)....
41 6LJ4 ic50 = 28.4 uM EF9 C10 H17 N O3 S C[C@H](CS)....
42 6OL8 - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
43 5YPL - HIW C12 H19 N3 O5 S [H]/N=CNCC....
44 6LJ1 ic50 = 4.6 uM EEX C14 H17 N O3 S C[C@H](CS)....
45 6D1C - VKE C11 H9 O7 P c1c2c(cc3c....
46 5ZGP - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
47 5ZGI - SIN C4 H6 O4 C(CC(=O)O)....
48 6D1G Ki = 34.2 uM YKG C11 H10 Br O5 P Cc1cc2c(c(....
70% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 6D1H Ki = 190.2 uM KED C10 H10 N O4 P c1ccc2c(c1....
2 6V1M - QNA C10 H9 B F O5 [B-]1([C@@....
3 6OVZ - N9M C9 H9 N O5 c1ccc(cc1)....
4 6D1B Ki = 123.7 uM FUJ C11 H11 O6 P COc1ccc2c(....
5 6LJ6 ic50 = 11.1 uM EFF C10 H18 N2 O2 S C[C@H](CS)....
6 6LJ8 ic50 = 19.8 uM EG0 C11 H19 N O3 S C[C@H](CS)....
7 4RL0 - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
8 5O2E - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
9 5YPN - LMP C17 H27 N3 O6 S C[C@H]1[C@....
10 6NY7 - L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
11 6LJ0 ic50 = 6.9 uM EER C10 H17 N O3 S C[C@H](CS)....
12 5YPK - HIW C12 H19 N3 O5 S [H]/N=CNCC....
13 5O2F - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
14 6D1E - XJE C12 H13 O6 P Cc1cc2c(c(....
15 6D1D Ki = 33.8 uM GTV C12 H13 O5 P Cc1cc(c2c(....
16 4RL2 - 3S3 C16 H20 N3 O5 S C[C@@H]1CS....
17 6RMF - K9B C19 H29 B N3 O6 [B-]1([C@H....
18 6EFJ Ki = 477 uM O5E C15 H14 N6 O c1ccc(cc1)....
19 6D1I Ki = 81 uM T6Z C11 H12 N O4 P CN1c2ccccc....
20 5YPI - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
21 5ZGE - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
22 6LJ5 ic50 = 4.9 uM EF0 C10 H17 N O3 S C[C@H](CS)....
23 5ZGR - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
24 6LJ2 ic50 = 4.6 uM EKX C14 H17 N O3 S C[C@H](CS)....
25 6MDU Ki = 56 uM N1G C17 H13 N7 O c1ccc(cc1)....
26 5YPM - 8YL C17 H27 N3 O6 S C[C@@H]1[C....
27 4EYF - PNK C16 H20 N2 O5 S CC1([C@@H]....
28 4EYB - 0WO C19 H21 N3 O6 S Cc1c(c(no1....
29 5ZGQ - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
30 6D1F - P9T C10 H7 F2 O5 P c1c(cc(c2c....
31 6O3R - XJE C12 H13 O6 P Cc1cc2c(c(....
32 6LIZ ic50 = 20.4 uM EEO C11 H19 N O3 S C[C@H](CS)....
33 6LIP ic50 = 75 uM EEL C9 H15 N O3 S2 C1C[C@@H](....
34 6D1A Ki = 44.3 uM TWB C12 H13 O5 P Cc1cc2c(cc....
35 4EYL - 0RV C17 H25 N3 O6 S CC1=C(C(=N....
36 6LJ7 ic50 = 27.9 uM EFR C11 H20 N2 O2 S C[C@H](CS)....
37 6D1K Ki = 741.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
38 4EY2 - 0RM C17 H22 N2 O7 S CC1([C@@H]....
39 6D1J Ki = 56.2 uM 7SX C12 H14 N O4 P Cc1cc(c2c(....
40 6TGD - N8Q C12 H14 N4 O S c1cc(cnc1)....
41 6LJ4 ic50 = 28.4 uM EF9 C10 H17 N O3 S C[C@H](CS)....
42 6OL8 - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
43 5YPL - HIW C12 H19 N3 O5 S [H]/N=CNCC....
44 6LJ1 ic50 = 4.6 uM EEX C14 H17 N O3 S C[C@H](CS)....
45 6D1C - VKE C11 H9 O7 P c1c2c(cc3c....
46 5ZGP - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
47 5ZGI - SIN C4 H6 O4 C(CC(=O)O)....
48 6D1G Ki = 34.2 uM YKG C11 H10 Br O5 P Cc1cc2c(c(....
49 4EXS Ki = 39 uM X8Z C9 H15 N O3 S C[C@H](CS)....
50% Homology Family (108)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 1HLK Ki = 10 uM 113 C15 H14 O8 C[C@H]1CC2....
2 1KR3 Ki = 10 uM 113 C15 H14 O8 C[C@H]1CC2....
3 6D1H Ki = 190.2 uM KED C10 H10 N O4 P c1ccc2c(c1....
4 6V1M - QNA C10 H9 B F O5 [B-]1([C@@....
5 6OVZ - N9M C9 H9 N O5 c1ccc(cc1)....
6 6D1B Ki = 123.7 uM FUJ C11 H11 O6 P COc1ccc2c(....
7 6LJ6 ic50 = 11.1 uM EFF C10 H18 N2 O2 S C[C@H](CS)....
8 6LJ8 ic50 = 19.8 uM EG0 C11 H19 N O3 S C[C@H](CS)....
9 4RL0 - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
10 5O2E - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
11 5YPN - LMP C17 H27 N3 O6 S C[C@H]1[C@....
12 6NY7 - L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
13 6LJ0 ic50 = 6.9 uM EER C10 H17 N O3 S C[C@H](CS)....
14 5YPK - HIW C12 H19 N3 O5 S [H]/N=CNCC....
15 5O2F - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
16 6D1E - XJE C12 H13 O6 P Cc1cc2c(c(....
17 6D1D Ki = 33.8 uM GTV C12 H13 O5 P Cc1cc(c2c(....
18 4RL2 - 3S3 C16 H20 N3 O5 S C[C@@H]1CS....
19 6RMF - K9B C19 H29 B N3 O6 [B-]1([C@H....
20 6EFJ Ki = 477 uM O5E C15 H14 N6 O c1ccc(cc1)....
21 6D1I Ki = 81 uM T6Z C11 H12 N O4 P CN1c2ccccc....
22 5YPI - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
23 5ZGE - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
24 6LJ5 ic50 = 4.9 uM EF0 C10 H17 N O3 S C[C@H](CS)....
25 5ZGR - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
26 6LJ2 ic50 = 4.6 uM EKX C14 H17 N O3 S C[C@H](CS)....
27 6MDU Ki = 56 uM N1G C17 H13 N7 O c1ccc(cc1)....
28 5YPM - 8YL C17 H27 N3 O6 S C[C@@H]1[C....
29 4EYF - PNK C16 H20 N2 O5 S CC1([C@@H]....
30 4EYB - 0WO C19 H21 N3 O6 S Cc1c(c(no1....
31 5ZGQ - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
32 6D1F - P9T C10 H7 F2 O5 P c1c(cc(c2c....
33 6O3R - XJE C12 H13 O6 P Cc1cc2c(c(....
34 6LIZ ic50 = 20.4 uM EEO C11 H19 N O3 S C[C@H](CS)....
35 6LIP ic50 = 75 uM EEL C9 H15 N O3 S2 C1C[C@@H](....
36 6D1A Ki = 44.3 uM TWB C12 H13 O5 P Cc1cc2c(cc....
37 4EYL - 0RV C17 H25 N3 O6 S CC1=C(C(=N....
38 6LJ7 ic50 = 27.9 uM EFR C11 H20 N2 O2 S C[C@H](CS)....
39 6D1K Ki = 741.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
40 4EY2 - 0RM C17 H22 N2 O7 S CC1([C@@H]....
41 6D1J Ki = 56.2 uM 7SX C12 H14 N O4 P Cc1cc(c2c(....
42 6TGD - N8Q C12 H14 N4 O S c1cc(cnc1)....
43 6LJ4 ic50 = 28.4 uM EF9 C10 H17 N O3 S C[C@H](CS)....
44 6OL8 - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
45 5YPL - HIW C12 H19 N3 O5 S [H]/N=CNCC....
46 6LJ1 ic50 = 4.6 uM EEX C14 H17 N O3 S C[C@H](CS)....
47 6D1C - VKE C11 H9 O7 P c1c2c(cc3c....
48 5ZGP - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
49 5ZGI - SIN C4 H6 O4 C(CC(=O)O)....
50 6D1G Ki = 34.2 uM YKG C11 H10 Br O5 P Cc1cc2c(c(....
51 5N4T ic50 = 1.06 uM R59 C15 H18 N2 O3 S C[C@H](CS)....
52 6DD0 Ki = 3.3 uM P9T C10 H7 F2 O5 P c1c(cc(c2c....
53 5Y6D ic50 = 54.8 nM 8PL C12 H14 F N O3 S C[C@H](CS)....
54 6RPN ic50 = 0.2 uM KDZ C16 H16 B O5 S [B-]1([C@H....
55 5FQC ic50 = 0.003 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
56 6TM9 ic50 = 0.23 uM 9NW C16 H21 Cl2 N5 O2 S c1cc(c(cc1....
57 5NI0 ic50 = 1.8 uM 8XW C14 H21 O4 P S CC(=O)SC[C....
58 5NHZ ic50 = 4.7 uM 8XZ C13 H19 O4 P S CC(=O)SC[C....
59 6JN6 Ki = 0.07 uM BY0 C14 H18 B N O4 S B([C@@H](C....
60 2WHG - FLC C6 H5 O7 C(C(=O)[O-....
61 5LCA ic50 = 32.8 uM B06 C16 H10 F3 N O3 c1cc(cc(c1....
62 6EW3 ic50 = 0.04 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
63 6O5T Ki = 0.316 uM L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
64 5LSC ic50 = 20 uM 752 C18 H13 N5 O3 S2 c1ccc(c(c1....
65 6HF5 ic50 = 6.7 uM G1N C9 H7 N3 O4 S2 c1cc(cnc1)....
66 5ACW Kd = 145 uM RHU C4 H4 F3 N3 S Cn1c(nnc1S....
67 5LM6 ic50 = 7.7 uM H32 C15 H10 F N O4 c1cc2c(c(c....
68 6TGI Ki = 41 uM N8Z C9 H12 Cl N5 S CCn1c(nnc1....
69 5Y6E ic50 = 13.7 nM 8PO C12 H15 N O4 S C[C@H](CS)....
70 5MXR ic50 = 6.2 uM JTY C10 H8 N2 O4 S2 c1ccc(cc1)....
71 6SP7 ic50 = 0.026 uM K9B C19 H29 B N3 O6 [B-]1([C@H....
72 5LCH ic50 = 20.3 uM 6TU C19 H17 N O4 COc1cccc(c....
73 5MXQ ic50 = 1.9 uM U8K C12 H10 N2 O4 S c1ccc(cc1)....
74 6J8R Ki = 0.76 uM BHU C5 H12 B N O3 S B(CNC(=O)[....
75 2YZ3 Ki = 220 nM M5P C12 H16 O2 S c1ccc(cc1)....
76 5MM9 ic50 = 0.38 uM 8SH C15 H25 O3 P S CCOP(=O)([....
77 6YRP Kd = 389 nM PJB C17 H16 N4 O4 S COc1ccc(c(....
78 6DD1 Ki = 22.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
79 6ZGM - QKK C12 H11 F2 N7 O5 S2 [H]/N=C(N)....
80 5ACX Kd = 9 uM WL3 C14 H9 F O3 c1ccc(c(c1....
81 5LCF ic50 = 17.8 uM 6TJ C15 H11 N O3 c1ccc(cc1)....
82 5N4S ic50 = 0.055 uM R38 C15 H18 N2 O3 S C[C@H](CS)....
83 6V1P - QNA C10 H9 B F O5 [B-]1([C@@....
84 6EUM ic50 = 0.3 uM BY5 C9 H5 F3 O2 S c1cc(c(c(c....
85 6EWE ic50 = 3.1 uM C0W C11 H8 O2 S2 c1ccc2c(c1....
86 6F2N ic50 = 0.2 uM CF8 C20 H16 O2 S c1ccc2cc(c....
87 1MQO - CIT C6 H8 O7 C(C(=O)O)C....
88 5FQB ic50 = 0.3 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
89 4TYT ic50 = 0.02 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
90 5N55 Kd = 1.03 uM 8NN C21 H16 Cl N3 O4 c1ccc2c(c1....
91 5N58 Kd = 0.8 uM 93W C21 H16 Cl N3 O4 c1ccc2c(c1....
92 5LE1 ic50 = 10.6 uM 6UW C16 H11 Cl F N O3 c1cc2c(c(c....
93 6TMC ic50 = 0.53 uM NL5 C14 H19 N3 O3 S CC(C)OCc1c....
94 6R73 - LMP C17 H27 N3 O6 S C[C@H]1[C@....
95 6RZR - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
96 6RZS - LHT C22 H27 N3 O8 S C[C@@H]1[C....
97 5NDB - 8TW C7 H8 Cl2 O4 S C1=S[C@H]2....
98 1JJT ic50 = 0.009 uM BDS C20 H18 O8 c1cc2c(cc1....
99 5EV8 - 3R9 C7 H11 N O2 S3 C1[C@@H](N....
100 3WXC - C93 C13 H15 N O5 c1cc(c(c(c....
101 2DOO Kd = 67 nM C4H C19 H27 N3 O3 S2 CN(C)c1ccc....
102 4F6Z - FLC C6 H5 O7 C(C(=O)[O-....
103 1DD6 - MCI C19 H19 N5 O3 S2 c1ccc(cc1)....
104 5EWA Ki = 15 uM 9BZ C9 H15 N O2 S3 CC1([C@H](....
105 1JJE ic50 = 0.0037 uM BYS C19 H18 O6 c1ccc(cc1)....
106 4UAM - FLC C6 H5 O7 C(C(=O)[O-....
107 4EXS Ki = 39 uM X8Z C9 H15 N O3 S C[C@H](CS)....
108 1M2X Ki ~ 85 uM MCO C9 H15 N O3 S C[C@H](CS)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: M3Q; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 M3Q 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: M3Q; Similar ligands found: 648
No: Ligand Similarity coefficient
1 QMS 0.9925
2 790 0.9834
3 6DP 0.9766
4 IOS 0.9752
5 I59 0.9674
6 ZON 0.9672
7 NLA 0.9649
8 KED 0.9603
9 TSR 0.9511
10 IAC 0.9475
11 MQB 0.9467
12 5OF 0.9455
13 EXL 0.9448
14 ALN 0.9440
15 T6Z 0.9438
16 FXH 0.9434
17 ITW 0.9428
18 5WN 0.9407
19 O2Y 0.9404
20 NVU 0.9388
21 NPA 0.9382
22 57O 0.9373
23 TRP 0.9371
24 CSN 0.9369
25 DTR 0.9368
26 67Y 0.9358
27 9F8 0.9349
28 EXR 0.9343
29 4OG 0.9338
30 61M 0.9335
31 IOP 0.9334
32 OA3 0.9331
33 FWD 0.9329
34 BK9 0.9324
35 MNP 0.9321
36 AIN 0.9320
37 I2E 0.9317
38 8GK 0.9315
39 LTN 0.9312
40 3IL 0.9307
41 9BF 0.9306
42 TSS 0.9296
43 2SX 0.9279
44 CX4 0.9275
45 EYY 0.9273
46 OMD 0.9271
47 P9T 0.9268
48 IBM 0.9264
49 4KL 0.9264
50 C9E 0.9263
51 8XQ 0.9255
52 ZIQ 0.9244
53 LIP 0.9242
54 QM1 0.9241
55 M5H 0.9238
56 3EB 0.9235
57 MP5 0.9234
58 ARP 0.9230
59 CWD 0.9225
60 YO5 0.9224
61 YKG 0.9224
62 BB4 0.9223
63 TWB 0.9220
64 APS 0.9219
65 OIA 0.9219
66 92P 0.9218
67 HJB 0.9215
68 GTV 0.9212
69 30G 0.9210
70 4ME 0.9205
71 PXP 0.9204
72 PLP 0.9204
73 SRO 0.9202
74 SYE 0.9197
75 SBK 0.9195
76 CKA 0.9191
77 G6P 0.9190
78 4Z9 0.9190
79 0LH 0.9186
80 RVE 0.9181
81 772 0.9179
82 6VD 0.9178
83 96Z 0.9176
84 7SX 0.9176
85 15N 0.9173
86 NIY 0.9172
87 7I2 0.9172
88 9UL 0.9171
89 9KH 0.9170
90 2UD 0.9168
91 BWD 0.9167
92 VM1 0.9156
93 F52 0.9155
94 XEN 0.9154
95 XFE 0.9152
96 KFH 0.9152
97 6J9 0.9151
98 3SU 0.9147
99 5WU 0.9146
100 JV4 0.9145
101 G1P 0.9145
102 KYA 0.9145
103 3IB 0.9141
104 EYA 0.9139
105 NBG 0.9139
106 IPD 0.9138
107 GFP 0.9135
108 TRF 0.9133
109 28S 0.9132
110 CTE 0.9132
111 BG6 0.9130
112 I4D 0.9129
113 L8J 0.9128
114 GRX 0.9126
115 IBC 0.9124
116 EYM 0.9122
117 PMP 0.9121
118 4R1 0.9121
119 7CT 0.9120
120 327 0.9117
121 HQ9 0.9116
122 7ZC 0.9113
123 HWD 0.9110
124 DNC 0.9107
125 CCV 0.9106
126 IWD 0.9105
127 C2Y 0.9105
128 2O6 0.9101
129 L21 0.9100
130 DTE 0.9100
131 FWB 0.9099
132 FUJ 0.9098
133 2GQ 0.9095
134 0JD 0.9095
135 1F1 0.9094
136 NWD 0.9093
137 8XL 0.9089
138 Q5M 0.9088
139 MAJ 0.9085
140 NCV 0.9084
141 2JK 0.9083
142 78U 0.9081
143 2LY 0.9079
144 2KU 0.9075
145 CFA 0.9075
146 M02 0.9073
147 AMR 0.9073
148 5NS 0.9070
149 EY7 0.9070
150 PRZ 0.9065
151 MHK 0.9064
152 MYI 0.9063
153 1A7 0.9062
154 JYW 0.9062
155 LZ2 0.9061
156 96R 0.9061
157 YTX 0.9060
158 EV3 0.9057
159 7VS 0.9053
160 JB8 0.9052
161 GP1 0.9051
162 DNA 0.9050
163 67X 0.9050
164 F95 0.9048
165 JYT 0.9047
166 C0W 0.9046
167 M0Q 0.9045
168 5V7 0.9045
169 CPW 0.9040
170 1QP 0.9039
171 CIP 0.9038
172 JR2 0.9038
173 PVQ 0.9038
174 DHY 0.9037
175 DNF 0.9036
176 7FF 0.9035
177 PLR 0.9034
178 B41 0.9033
179 TQU 0.9032
180 AC2 0.9026
181 HWH 0.9026
182 H5B 0.9025
183 6XI 0.9024
184 HA5 0.9023
185 ASE 0.9022
186 BQ2 0.9022
187 JXZ 0.9021
188 F5C 0.9021
189 CGW 0.9019
190 S7G 0.9017
191 8U3 0.9015
192 3B4 0.9013
193 6NT 0.9012
194 CR1 0.9012
195 P0P 0.9012
196 EYV 0.9010
197 2ZM 0.9008
198 GC2 0.9007
199 JKZ 0.9007
200 GPM 0.9006
201 6HP 0.9005
202 1U7 0.9002
203 HPT 0.8998
204 CRB 0.8992
205 GNR 0.8992
206 2ZQ 0.8991
207 EYJ 0.8989
208 JXK 0.8989
209 BZM 0.8989
210 0HN 0.8988
211 HA7 0.8986
212 HLZ 0.8986
213 NPL 0.8985
214 X04 0.8984
215 0F9 0.8983
216 7ZE 0.8983
217 DEW 0.8979
218 LTT 0.8978
219 JDN 0.8978
220 PDC 0.8978
221 CC5 0.8976
222 TXW 0.8975
223 3TC 0.8974
224 S7B 0.8974
225 5JT 0.8971
226 S24 0.8971
227 XQK 0.8971
228 OTD 0.8971
229 535 0.8971
230 SG2 0.8970
231 TR7 0.8969
232 3NY 0.8968
233 EXD 0.8968
234 LLT 0.8968
235 AM1 0.8966
236 VYM 0.8966
237 5F5 0.8963
238 JAW 0.8963
239 1X7 0.8961
240 ONZ 0.8960
241 AKH 0.8959
242 5NI 0.8958
243 3N4 0.8958
244 LLG 0.8958
245 6NI 0.8957
246 BZJ 0.8957
247 ONR 0.8956
248 54X 0.8954
249 9R5 0.8952
250 OW7 0.8952
251 NAG 0.8952
252 GL1 0.8949
253 N1E 0.8949
254 BY5 0.8948
255 JYK 0.8947
256 CE2 0.8947
257 EV2 0.8947
258 0HO 0.8946
259 Q6T 0.8946
260 OSB 0.8945
261 2D3 0.8944
262 FLV 0.8940
263 ZME 0.8939
264 M6Z 0.8938
265 2CZ 0.8937
266 657 0.8936
267 FTV 0.8935
268 LAO 0.8933
269 B4O 0.8933
270 P7Y 0.8932
271 1VQ 0.8930
272 NFM 0.8930
273 3LJ 0.8930
274 W8G 0.8930
275 SKF 0.8927
276 512 0.8924
277 ICO 0.8924
278 4TU 0.8921
279 42C 0.8917
280 HHT 0.8916
281 M6D 0.8914
282 PYU 0.8913
283 OUB 0.8913
284 0FK 0.8910
285 SY4 0.8909
286 KGK 0.8907
287 N2M 0.8905
288 KTW 0.8902
289 HSX 0.8902
290 8DA 0.8902
291 JXW 0.8902
292 EXG 0.8900
293 MZM 0.8900
294 JHY 0.8897
295 61O 0.8897
296 PVK 0.8896
297 X0T 0.8895
298 O2A 0.8893
299 7MX 0.8892
300 SLS 0.8892
301 091 0.8889
302 3RI 0.8888
303 PD2 0.8886
304 HNQ 0.8885
305 SLY 0.8884
306 DHC 0.8883
307 CG8 0.8883
308 55D 0.8883
309 RD4 0.8879
310 5WY 0.8879
311 28N 0.8878
312 22L 0.8877
313 9FQ 0.8876
314 4AV 0.8875
315 KF5 0.8874
316 JP2 0.8874
317 ABF 0.8873
318 H7Y 0.8872
319 S3P 0.8872
320 LEL 0.8871
321 KYN 0.8870
322 KWQ 0.8869
323 3Y7 0.8869
324 F12 0.8868
325 NTZ 0.8867
326 CLU 0.8867
327 2LB 0.8866
328 LL1 0.8865
329 JY2 0.8861
330 2VQ 0.8859
331 NOK 0.8859
332 GO8 0.8858
333 S7A 0.8858
334 NGO 0.8857
335 PA5 0.8857
336 MUR 0.8856
337 MS0 0.8855
338 NBV 0.8854
339 8VN 0.8854
340 5GT 0.8854
341 2K8 0.8851
342 S3B 0.8850
343 X1P 0.8850
344 8WZ 0.8850
345 ETV 0.8849
346 F06 0.8849
347 FNA 0.8848
348 UAN 0.8847
349 NQH 0.8843
350 NGT 0.8843
351 M0W 0.8842
352 C4E 0.8841
353 HLD 0.8840
354 2UZ 0.8840
355 SR4 0.8840
356 GV9 0.8840
357 NGW 0.8840
358 3A9 0.8838
359 HA6 0.8836
360 CUT 0.8835
361 EOL 0.8834
362 8RK 0.8833
363 Z5P 0.8833
364 H7S 0.8832
365 QIF 0.8832
366 X6P 0.8831
367 49N 0.8830
368 JF1 0.8830
369 9FE 0.8828
370 AY4 0.8827
371 THM 0.8826
372 MIG 0.8825
373 XQI 0.8824
374 B86 0.8823
375 LP8 0.8823
376 S3C 0.8822
377 LDR 0.8820
378 36M 0.8818
379 GLP 0.8818
380 U1K 0.8817
381 49O 0.8817
382 GDL 0.8815
383 0DN 0.8811
384 DDU 0.8811
385 TZM 0.8809
386 9AP 0.8809
387 8NX 0.8808
388 60Q 0.8807
389 3R6 0.8806
390 363 0.8806
391 XJE 0.8805
392 JTH 0.8805
393 YOF 0.8804
394 M1P 0.8803
395 9UG 0.8803
396 HBI 0.8803
397 3DT 0.8802
398 QPR 0.8802
399 AKD 0.8798
400 TOM 0.8797
401 FUZ 0.8797
402 3HP 0.8797
403 GCU 0.8797
404 JXT 0.8796
405 PEY 0.8796
406 2HC 0.8795
407 TNX 0.8795
408 BDP 0.8794
409 DG2 0.8794
410 F69 0.8793
411 R1P 0.8791
412 3D8 0.8791
413 AVR 0.8791
414 B61 0.8790
415 HLP 0.8790
416 M4E 0.8790
417 DBJ 0.8789
418 BCU 0.8788
419 23J 0.8788
420 STT 0.8788
421 4I8 0.8786
422 505 0.8785
423 AJD 0.8783
424 E1T 0.8782
425 MCY 0.8781
426 EVA 0.8780
427 3C4 0.8780
428 KG1 0.8779
429 LZB 0.8777
430 DJN 0.8777
431 3AK 0.8776
432 P80 0.8775
433 K3Q 0.8775
434 5WX 0.8771
435 2KA 0.8771
436 9ZE 0.8769
437 M5N 0.8768
438 MD6 0.8768
439 W22 0.8767
440 4XV 0.8767
441 1FF 0.8766
442 BGC 0.8766
443 F6P 0.8765
444 RP5 0.8765
445 DI6 0.8764
446 MR1 0.8763
447 5AD 0.8763
448 E7R 0.8763
449 HMQ 0.8763
450 JRB 0.8762
451 ABI 0.8762
452 I6G 0.8762
453 5MD 0.8761
454 AX3 0.8760
455 15L 0.8759
456 R8Y 0.8758
457 9X5 0.8758
458 5VJ 0.8757
459 VKE 0.8756
460 NDG 0.8756
461 7M6 0.8755
462 8Y7 0.8755
463 A6P 0.8755
464 BGP 0.8754
465 2J9 0.8753
466 KFN 0.8753
467 774 0.8752
468 R9S 0.8751
469 F1X 0.8750
470 L7T 0.8750
471 5PX 0.8748
472 CIT 0.8746
473 3D1 0.8744
474 ZYV 0.8742
475 UFO 0.8742
476 OX2 0.8740
477 H4B 0.8740
478 TVP 0.8739
479 OHP 0.8736
480 JF2 0.8735
481 M6P 0.8735
482 ZZ8 0.8734
483 RM1 0.8734
484 9E3 0.8733
485 LDP 0.8731
486 1AL 0.8731
487 MDR 0.8730
488 P84 0.8726
489 U7E 0.8726
490 BZQ 0.8725
491 9LI 0.8724
492 OKM 0.8724
493 0GZ 0.8723
494 7WR 0.8722
495 5NE 0.8722
496 GCB 0.8722
497 4A5 0.8722
498 GSY 0.8722
499 QUS 0.8721
500 M1H 0.8719
501 SDF 0.8719
502 5LD 0.8717
503 GDE 0.8716
504 2FD 0.8714
505 DUR 0.8712
506 LGC 0.8712
507 PW1 0.8710
508 B2Y 0.8709
509 K68 0.8709
510 FBG 0.8707
511 EPR 0.8705
512 TOH 0.8705
513 2CL 0.8705
514 GAL 0.8704
515 IPT 0.8704
516 5RN 0.8704
517 BIO 0.8704
518 S0G 0.8703
519 DCZ 0.8703
520 JZA 0.8701
521 4XS 0.8701
522 89J 0.8701
523 INE 0.8701
524 1SS 0.8699
525 EWG 0.8698
526 5BT 0.8698
527 LYL 0.8698
528 ZYR 0.8696
529 M3S 0.8696
530 GL6 0.8692
531 PE2 0.8692
532 1Z8 0.8691
533 K3Y 0.8690
534 NCD 0.8689
535 VXX 0.8689
536 A1Y 0.8689
537 HJH 0.8688
538 94E 0.8685
539 8ZE 0.8684
540 ASC 0.8683
541 DRG 0.8683
542 GT0 0.8681
543 OVP 0.8681
544 K2P 0.8680
545 GLC 0.8680
546 GA2 0.8679
547 SYR 0.8679
548 CH9 0.8677
549 DIE 0.8677
550 8HC 0.8677
551 FA3 0.8676
552 AMQ 0.8675
553 W81 0.8673
554 KDO 0.8672
555 ID2 0.8670
556 27L 0.8668
557 8G0 0.8666
558 J4K 0.8664
559 5O5 0.8664
560 GZQ 0.8662
561 XI7 0.8660
562 A2G 0.8660
563 THU 0.8658
564 ISJ 0.8658
565 HPP 0.8657
566 ML1 0.8656
567 EGR 0.8655
568 SHG 0.8655
569 YIH 0.8654
570 QZ8 0.8654
571 0OL 0.8654
572 M4B 0.8654
573 3VW 0.8652
574 GLG 0.8652
575 0W8 0.8652
576 9PY 0.8651
577 A9O 0.8649
578 KBG 0.8646
579 1X8 0.8645
580 NLQ 0.8644
581 LNR 0.8640
582 HVE 0.8637
583 GCS 0.8635
584 H35 0.8634
585 TLM 0.8633
586 AS3 0.8631
587 BPY 0.8630
588 GNG 0.8630
589 MOK 0.8630
590 KP6 0.8629
591 5VL 0.8629
592 ZZZ 0.8628
593 V6F 0.8626
594 2FY 0.8625
595 25O 0.8624
596 SAF 0.8622
597 M2K 0.8622
598 E4P 0.8617
599 SBI 0.8617
600 GI3 0.8614
601 CL9 0.8613
602 SYA 0.8610
603 982 0.8610
604 1SV 0.8609
605 M1E 0.8608
606 ODO 0.8604
607 2V0 0.8602
608 FLC 0.8602
609 ZEA 0.8601
610 BPS 0.8598
611 IQU 0.8597
612 PQK 0.8596
613 0GY 0.8593
614 EV0 0.8592
615 GNL 0.8592
616 ALE 0.8592
617 A0O 0.8587
618 MXD 0.8586
619 4WF 0.8585
620 NSG 0.8578
621 7ZL 0.8576
622 DQA 0.8573
623 7M2 0.8571
624 N3W 0.8571
625 S0I 0.8571
626 FHC 0.8570
627 8VR 0.8569
628 KDM 0.8567
629 LT3 0.8565
630 AHC 0.8563
631 N8Y 0.8562
632 6R8 0.8561
633 3GC 0.8559
634 GCO 0.8557
635 GXD 0.8556
636 7MK 0.8551
637 AAN 0.8551
638 AA 0.8546
639 FMC 0.8546
640 2EC 0.8545
641 2CG 0.8544
642 X8D 0.8539
643 AOJ 0.8537
644 878 0.8529
645 FIX 0.8527
646 ANF 0.8521
647 H05 0.8517
648 ALX 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6LJ1; Ligand: EEX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6lj1.bio1) has 59 residues
No: Leader PDB Ligand Sequence Similarity
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