Receptor
PDB id Resolution Class Description Source Keywords
6D1H 1.25 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF NDM-1 COMPLEXED WITH COMPOUND 11 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...
KED A:303;
 Valid;
 none;
 Ki = 190.2 uM
239.164 C10 H10 N O4 P c1ccc...
ZN A:301;
A:302;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
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: KED; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 KED 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: KED; Similar ligands found: 189
No: Ligand Similarity coefficient
1 T6Z 0.9756
2 M3Q 0.9603
3 QMS 0.9541
4 TWB 0.9471
5 NLA 0.9425
6 GTV 0.9386
7 790 0.9369
8 F95 0.9368
9 EY7 0.9354
10 6DP 0.9352
11 YKG 0.9352
12 FUJ 0.9345
13 I59 0.9325
14 L8J 0.9314
15 P9T 0.9313
16 ZON 0.9297
17 5OF 0.9288
18 7SX 0.9257
19 IBM 0.9248
20 EYM 0.9238
21 8GK 0.9233
22 96R 0.9218
23 EYA 0.9191
24 FXH 0.9141
25 9KH 0.9123
26 YO5 0.9114
27 IBC 0.9114
28 IOS 0.9108
29 9F8 0.9084
30 JR2 0.9081
31 TRF 0.9063
32 BK9 0.9058
33 FWB 0.9043
34 AIN 0.9023
35 NPL 0.9023
36 PLP 0.9018
37 K2P 0.9016
38 ALN 0.9011
39 GRX 0.9007
40 IAC 0.9007
41 QM1 0.9006
42 M5N 0.8996
43 5WU 0.8987
44 VKE 0.8980
45 GT1 0.8979
46 NCV 0.8977
47 EXL 0.8975
48 9UG 0.8974
49 TSR 0.8966
50 CCV 0.8959
51 W8G 0.8956
52 MQB 0.8955
53 S0I 0.8953
54 XJE 0.8952
55 57O 0.8949
56 SRO 0.8945
57 XFE 0.8942
58 TRP 0.8932
59 AVR 0.8918
60 NBG 0.8917
61 982 0.8912
62 G1P 0.8909
63 IOP 0.8899
64 S3P 0.8899
65 HPT 0.8898
66 772 0.8894
67 LIP 0.8892
68 DTR 0.8888
69 5WN 0.8886
70 SBK 0.8883
71 G6P 0.8882
72 BB4 0.8871
73 NQH 0.8870
74 L21 0.8869
75 7FF 0.8866
76 67Y 0.8864
77 9BF 0.8862
78 NVU 0.8856
79 OSB 0.8848
80 I4D 0.8846
81 4ME 0.8838
82 LZB 0.8838
83 GP1 0.8835
84 PRZ 0.8832
85 FBG 0.8831
86 K3Q 0.8830
87 JKZ 0.8830
88 CSN 0.8828
89 8WZ 0.8824
90 MNP 0.8816
91 3N4 0.8816
92 FNA 0.8814
93 S3B 0.8811
94 PMP 0.8809
95 JXW 0.8808
96 6HP 0.8807
97 Q5M 0.8807
98 4OG 0.8804
99 GT0 0.8795
100 F5C 0.8793
101 3B4 0.8791
102 GL1 0.8791
103 S7B 0.8791
104 96Z 0.8779
105 PXP 0.8777
106 49O 0.8772
107 ARP 0.8770
108 EXR 0.8764
109 4MX 0.8764
110 7VS 0.8764
111 2SX 0.8763
112 CPW 0.8763
113 QZ8 0.8761
114 X04 0.8760
115 CRZ 0.8760
116 2J9 0.8760
117 6J9 0.8755
118 JYK 0.8755
119 A1Y 0.8751
120 HHT 0.8749
121 EV3 0.8749
122 1U7 0.8748
123 P0P 0.8746
124 CFA 0.8744
125 AM1 0.8743
126 OKM 0.8741
127 7M6 0.8740
128 TNF 0.8739
129 CX4 0.8737
130 I6G 0.8736
131 3RI 0.8736
132 EVO 0.8735
133 49N 0.8735
134 25O 0.8734
135 FUZ 0.8732
136 KFN 0.8728
137 5PX 0.8725
138 IPD 0.8724
139 XEN 0.8724
140 GPM 0.8723
141 SYR 0.8720
142 HLZ 0.8719
143 CE2 0.8717
144 61M 0.8712
145 ASE 0.8706
146 LTN 0.8703
147 F52 0.8695
148 2KU 0.8693
149 9UL 0.8692
150 PVQ 0.8687
151 BG6 0.8687
152 4R1 0.8686
153 PVK 0.8683
154 IPT 0.8677
155 0LH 0.8672
156 3IL 0.8665
157 D07 0.8660
158 OMD 0.8657
159 8XQ 0.8656
160 M1H 0.8653
161 JV4 0.8648
162 7ZC 0.8646
163 1VQ 0.8637
164 FWD 0.8636
165 APS 0.8636
166 NWD 0.8633
167 AJD 0.8632
168 8DA 0.8632
169 CGW 0.8625
170 SG6 0.8625
171 512 0.8619
172 LLG 0.8614
173 CRB 0.8611
174 CG8 0.8611
175 ZIQ 0.8610
176 8XL 0.8609
177 OUB 0.8603
178 K3Y 0.8596
179 CIP 0.8595
180 NTZ 0.8593
181 JUO 0.8591
182 KDO 0.8586
183 MYI 0.8575
184 5WY 0.8573
185 29Q 0.8570
186 NFK 0.8570
187 PA5 0.8560
188 9FQ 0.8554
189 U1K 0.8518
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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