Receptor
PDB id Resolution Class Description Source Keywords
1X2R 1.7 Å NON-ENZYME: OTHER STRUCTURAL BASIS FOR THE DEFECTS OF HUMAN LUNG CANCER SOMATIC MUTATIONS IN THE REPRESSION ACTIVITY OF KEAP1 ON N RF2 MUS MUSCULUS BETA PROPELLER STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI TRANSCRIPTION
Ref.: STRUCTURAL BASIS FOR DEFECTS OF KEAP1 ACTIVITY PROVOKED BY ITS POINT MUTATIONS IN LUNG CANCER MOL.CELL V. 21 689 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LEU ASP GLU GLU THR GLY GLU PHE LEU B:76;
 Valid;
 none;
 Ka = 5510000 M^-1
1048.07 n/a O=C([...
SO4 A:701;
A:702;
A:703;
A:704;
A:705;
A:706;
A:707;
A:708;
A:709;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FNU 1.78 Å NON-ENZYME: OTHER STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL INHIBITOR. MUS MUSCULUS TRANSCRIPTION KEAP1 NRF2 OXIDATIVE STRESS
Ref.: MONO-ACIDIC INHIBITORS OF THE KELCH-LIKE ECH-ASSOCI PROTEIN 1 : NUCLEAR FACTOR ERYTHROID 2-RELATED FACT (KEAP1:NRF2) PROTEIN-PROTEIN INTERACTION WITH HIGH POTENCY IDENTIFIED BY FRAGMENT-BASED DISCOVERY. J.MED.CHEM. V. 59 3991 2016
Members (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6T7Z ic50 = 55 nM ACY MV5 ASA 4FB GLU THR GLY GLU n/a n/a
2 5FNT Kd = 0.67 uM 0PL C24 H23 Cl N4 O4 S Cn1c2ccc(c....
3 4L7C ic50 = 7.4 uM 1VW C26 H26 N6 O3 c1ccc2c(c1....
4 5FNU Kd = 0.0013 uM L6I C28 H30 N4 O6 S Cc1ccc(cc1....
5 7C60 Kd = 27 nM NF3 C6 H8 O4 CCOC(=O)/C....
6 4ZY3 - K67 C29 H30 N2 O7 S2 CCOc1ccc(c....
7 7C5E Kd = 8.4 nM FUM C4 H4 O4 C(=C/C(=O)....
8 5FZJ - 75K C8 H7 N O3 Cc1nc2c(o1....
9 6Z6A Kd = 3.7 uM Q9E C23 H30 N4 O6 S CC(=O)N1CC....
10 3ZGC - GLY ASP GLU GLU THR GLY GLU n/a n/a
11 5FNR Kd = 59 uM XMS C16 H14 Cl N3 O2 Cn1c2ccc(c....
12 6QMC - J6H C14 H12 Cl N O3 c1cc(ccc1[....
13 5FNS Kd = 4 uM XYY C19 H21 Cl N4 O4 S Cn1c2ccc(c....
14 1X2R Ka = 5510000 M^-1 LEU ASP GLU GLU THR GLY GLU PHE LEU n/a n/a
15 6QMD ic50 = 170 uM J6N C16 H14 Cl N3 O2 Cn1c2ccc(c....
16 6LRZ Kd = 10 nM EOU C6 H8 O4 COC(=O)/C=....
17 6UF0 ic50 = 230 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
18 6V6Z ic50 = 63 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
19 5FNQ - S0W C9 H9 Cl O2 c1cc(ccc1C....
20 6TYP Kd = 2.7 nM PKG C28 H28 N4 O3 CCn1c2ccc(....
21 6QME ic50 = 44 uM J6Q C17 H16 Cl N3 O2 Cc1cc(ccc1....
22 4L7D ic50 = 0.75 uM 1VX C27 H30 N2 O4 Cc1cccc2c1....
23 6TYM Kd = 13.5 nM 08A C29 H30 N4 O3 CCn1c2ccc(....
24 5FZN - FB2 C6 H7 N O2 S c1ccc(cc1)....
25 5X54 Kd = 10 uM ACE GLU TRP TRP TRP n/a n/a
26 6QMJ ic50 = 0.069 uM J6K C26 H28 N4 O5 S Cc1ccc(cc1....
27 4L7B ic50 = 2.3 uM 1VV C26 H26 N2 O5 c1ccc2c(c1....
28 4IQK ic50 = 2.7 uM IQK C24 H22 N2 O6 S2 COc1ccc(cc....
29 4XMB Kd = 44 nM 41P C28 H28 N4 O8 S2 COc1ccc(cc....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6T7Z ic50 = 55 nM ACY MV5 ASA 4FB GLU THR GLY GLU n/a n/a
2 5FNT Kd = 0.67 uM 0PL C24 H23 Cl N4 O4 S Cn1c2ccc(c....
3 4L7C ic50 = 7.4 uM 1VW C26 H26 N6 O3 c1ccc2c(c1....
4 5FNU Kd = 0.0013 uM L6I C28 H30 N4 O6 S Cc1ccc(cc1....
5 7C60 Kd = 27 nM NF3 C6 H8 O4 CCOC(=O)/C....
6 4ZY3 - K67 C29 H30 N2 O7 S2 CCOc1ccc(c....
7 7C5E Kd = 8.4 nM FUM C4 H4 O4 C(=C/C(=O)....
8 5FZJ - 75K C8 H7 N O3 Cc1nc2c(o1....
9 6Z6A Kd = 3.7 uM Q9E C23 H30 N4 O6 S CC(=O)N1CC....
10 3ZGC - GLY ASP GLU GLU THR GLY GLU n/a n/a
11 5FNR Kd = 59 uM XMS C16 H14 Cl N3 O2 Cn1c2ccc(c....
12 6QMC - J6H C14 H12 Cl N O3 c1cc(ccc1[....
13 5FNS Kd = 4 uM XYY C19 H21 Cl N4 O4 S Cn1c2ccc(c....
14 1X2R Ka = 5510000 M^-1 LEU ASP GLU GLU THR GLY GLU PHE LEU n/a n/a
15 6QMD ic50 = 170 uM J6N C16 H14 Cl N3 O2 Cn1c2ccc(c....
16 6LRZ Kd = 10 nM EOU C6 H8 O4 COC(=O)/C=....
17 6UF0 ic50 = 230 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
18 6V6Z ic50 = 63 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
19 5FNQ - S0W C9 H9 Cl O2 c1cc(ccc1C....
20 6TYP Kd = 2.7 nM PKG C28 H28 N4 O3 CCn1c2ccc(....
21 6QME ic50 = 44 uM J6Q C17 H16 Cl N3 O2 Cc1cc(ccc1....
22 4L7D ic50 = 0.75 uM 1VX C27 H30 N2 O4 Cc1cccc2c1....
23 6TYM Kd = 13.5 nM 08A C29 H30 N4 O3 CCn1c2ccc(....
24 5FZN - FB2 C6 H7 N O2 S c1ccc(cc1)....
25 5X54 Kd = 10 uM ACE GLU TRP TRP TRP n/a n/a
26 6QMJ ic50 = 0.069 uM J6K C26 H28 N4 O5 S Cc1ccc(cc1....
27 4L7B ic50 = 2.3 uM 1VV C26 H26 N2 O5 c1ccc2c(c1....
28 4IQK ic50 = 2.7 uM IQK C24 H22 N2 O6 S2 COc1ccc(cc....
29 4XMB Kd = 44 nM 41P C28 H28 N4 O8 S2 COc1ccc(cc....
30 6QMK ic50 = 0.047 uM J8H C27 H28 N4 O6 S Cc1ccc(cc1....
31 6FMQ - ACE DYW GLU THR GLY GLU LEU n/a n/a
50% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6T7Z ic50 = 55 nM ACY MV5 ASA 4FB GLU THR GLY GLU n/a n/a
2 5FNT Kd = 0.67 uM 0PL C24 H23 Cl N4 O4 S Cn1c2ccc(c....
3 4L7C ic50 = 7.4 uM 1VW C26 H26 N6 O3 c1ccc2c(c1....
4 5FNU Kd = 0.0013 uM L6I C28 H30 N4 O6 S Cc1ccc(cc1....
5 7C60 Kd = 27 nM NF3 C6 H8 O4 CCOC(=O)/C....
6 4ZY3 - K67 C29 H30 N2 O7 S2 CCOc1ccc(c....
7 7C5E Kd = 8.4 nM FUM C4 H4 O4 C(=C/C(=O)....
8 5FZJ - 75K C8 H7 N O3 Cc1nc2c(o1....
9 6Z6A Kd = 3.7 uM Q9E C23 H30 N4 O6 S CC(=O)N1CC....
10 3ZGC - GLY ASP GLU GLU THR GLY GLU n/a n/a
11 5FNR Kd = 59 uM XMS C16 H14 Cl N3 O2 Cn1c2ccc(c....
12 6QMC - J6H C14 H12 Cl N O3 c1cc(ccc1[....
13 5FNS Kd = 4 uM XYY C19 H21 Cl N4 O4 S Cn1c2ccc(c....
14 1X2R Ka = 5510000 M^-1 LEU ASP GLU GLU THR GLY GLU PHE LEU n/a n/a
15 6QMD ic50 = 170 uM J6N C16 H14 Cl N3 O2 Cn1c2ccc(c....
16 6LRZ Kd = 10 nM EOU C6 H8 O4 COC(=O)/C=....
17 6UF0 ic50 = 230 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
18 6V6Z ic50 = 63 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
19 5FNQ - S0W C9 H9 Cl O2 c1cc(ccc1C....
20 6TYP Kd = 2.7 nM PKG C28 H28 N4 O3 CCn1c2ccc(....
21 6QME ic50 = 44 uM J6Q C17 H16 Cl N3 O2 Cc1cc(ccc1....
22 4L7D ic50 = 0.75 uM 1VX C27 H30 N2 O4 Cc1cccc2c1....
23 6TYM Kd = 13.5 nM 08A C29 H30 N4 O3 CCn1c2ccc(....
24 5FZN - FB2 C6 H7 N O2 S c1ccc(cc1)....
25 5X54 Kd = 10 uM ACE GLU TRP TRP TRP n/a n/a
26 6QMJ ic50 = 0.069 uM J6K C26 H28 N4 O5 S Cc1ccc(cc1....
27 4L7B ic50 = 2.3 uM 1VV C26 H26 N2 O5 c1ccc2c(c1....
28 4IQK ic50 = 2.7 uM IQK C24 H22 N2 O6 S2 COc1ccc(cc....
29 4XMB Kd = 44 nM 41P C28 H28 N4 O8 S2 COc1ccc(cc....
30 6QMK ic50 = 0.047 uM J8H C27 H28 N4 O6 S Cc1ccc(cc1....
31 6FMQ - ACE DYW GLU THR GLY GLU LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LEU ASP GLU GLU THR GLY GLU PHE LEU; Similar ligands found: 145
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU ASP GLU GLU THR GLY GLU PHE LEU 1 1
2 SER ILE ILE GLY PHE GLU LYS LEU 0.568 0.903846
3 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.565574 0.867925
4 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.559633 0.823529
5 ASP ALA ASP GLU TYR LEU 0.54386 0.807692
6 SER GLY ILE PHE LEU GLU THR SER 0.533898 0.901961
7 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.532258 0.884615
8 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.530769 0.884615
9 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.529851 0.741935
10 GLU ILE ILE ASN PHE GLU LYS LEU 0.527559 0.830189
11 LEU GLU PHE GLN GLY 0.526786 0.877551
12 SER ILE ILE ASN PHE GLU LYS LEU 0.523438 0.886792
13 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.521008 0.773585
14 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.514493 0.728814
15 ALA GLU THR PHE 0.514286 0.836735
16 ASP PHE GLU GLU ILE 0.513761 0.78
17 ASP PHE GLU ASP TYR GLU PHE ASP 0.513043 0.714286
18 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.511811 0.803571
19 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.51145 0.854545
20 ACE DYW GLU THR GLY GLU LEU 0.507937 0.741935
21 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.507463 0.941176
22 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.507353 0.875
23 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.503759 0.814815
24 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.503497 0.754098
25 LEU PRO SER PHE GLU THR ALA LEU 0.49635 0.803279
26 TYR GLY GLY PHE LEU 0.491379 0.781818
27 LYS VAL ILE THR PHE ILE ASP LEU 0.488372 0.941176
28 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.488372 0.8
29 GLU THR PHE TYR VAL ASP GLY 0.488 0.87037
30 ASP ALA ASP GLU GLU ASP PHE 0.486486 0.78
31 ALA GLU THR PHE TYR VAL ASP GLY 0.483871 0.796296
32 GLY ASP GLU GLU THR GLY GLU 0.482456 0.877551
33 GLU ASN LEU TYR PHE GLN 0.479675 0.781818
34 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.478261 0.766667
35 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.47482 0.762712
36 SER ILE ILE GLN PHE GLU HIS LEU 0.474074 0.737705
37 SER GLU ILE GLU PHE ALA ARG LEU 0.474074 0.807018
38 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.471338 0.657143
39 THR ASN GLU PHE TYR ALA 0.471074 0.763636
40 PHE GLU ALA ASN GLY ASN LEU ILE 0.469697 0.865385
41 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.469697 0.818182
42 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.467105 0.686567
43 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.466667 0.803571
44 GLU LEU ASP 1OL VAL GLU PHE 0.466165 0.84
45 GLY ILE LEU GLY LEU VAL PHE THR LEU 0.465116 0.92
46 ALA ARG THR GLU LEU TYR ARG SER LEU 0.463235 0.8
47 TYR ASP GLN ILE LEU 0.462185 0.773585
48 ILE ASN PHE ASP PHE ASN THR ILE 0.462185 0.777778
49 ILE ASP TRP PHE ASP GLY LYS GLU 0.462069 0.733333
50 ILE ASP TRP PHE GLU GLY LYS GLU 0.462069 0.704918
51 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.461538 0.779661
52 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.460432 0.849057
53 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.458647 0.810345
54 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.457143 0.810345
55 PHE GLU ASP LEU ARG VAL SER SER PHE 0.457143 0.810345
56 GLY GLY LYS LYS LYS TYR GLN LEU 0.456 0.833333
57 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.455224 0.803571
58 THR PRO ASP TYR PHE LEU 0.454545 0.779661
59 SER SER ILE GLU PHE ALA ARG LEU 0.453237 0.824561
60 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.452381 0.92
61 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.451389 0.692308
62 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.450704 0.859649
63 GLY GLY LYS LYS LYS TYR LYS LEU 0.45 0.833333
64 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.449275 0.758621
65 ACE PHE ASP GLU MET GLU GLU CYS 0.449153 0.759259
66 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.447552 0.779661
67 VAL ASN ASP ILE PHE GLU ALA ILE 0.44697 0.788462
68 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.446809 0.737705
69 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.445255 0.723077
70 ASP PHE M3L THR ASP 0.443548 0.783333
71 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.442029 0.783333
72 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.440678 0.823529
73 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.439716 0.821429
74 SER LEU PHE ASN THR VAL ALA THR LEU 0.439394 0.862745
75 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.436975 0.857143
76 ALA GLU LYS ASP GLU LEU 0.436364 0.784314
77 PHE LEU GLU LYS 0.435897 0.84
78 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.435897 0.608108
79 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.435374 0.758621
80 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.434783 0.872727
81 GLU ASP LEU 0.434343 0.734694
82 LYS VAL LEU PHE LEU ASP GLY 0.433071 0.88
83 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.432432 0.745763
84 CYS THR GLU LEU LYS LEU SER ASP TYR 0.431655 0.872727
85 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.431655 0.836364
86 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.431373 0.727273
87 CYS VAL ASN GLY SER CYS PHE THR VAL 0.42963 0.884615
88 ACE ASN TRP GLU THR PHE 0.42963 0.7
89 ACE LEU PHE PHE GLK CF0 GLU 0.428571 0.735849
90 LEU GLU LYS ALA ARG GLY SER THR TYR 0.427632 0.803279
91 ILE ASP TRP PHE ASP GLY LYS ASP 0.427586 0.733333
92 SER GLN TYR TYR TYR ASN SER LEU 0.427419 0.821429
93 THR PHE LYS LYS THR ASN 0.42623 0.884615
94 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.424051 0.712121
95 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.423841 0.830508
96 ACE ILE TYR GLU SER LEU 0.422764 0.814815
97 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.422535 0.688525
98 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.422222 0.87037
99 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.421769 0.79661
100 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.421769 0.766667
101 ACE VAL PHE PHE ALA GLU ASP NH2 0.421488 0.745098
102 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.421384 0.758065
103 CYS THR PHE LYS THR LYS THR ASN 0.420635 0.867925
104 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.42 0.666667
105 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.419355 0.727273
106 GLN VAL ASN PHE LEU GLY LYS 0.419118 0.865385
107 THR ASN GLU PHE TYR PHE 0.418803 0.690909
108 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.418301 0.816667
109 GLU THR VAL ARG PHE GLN SER ASP 0.415493 0.821429
110 ASP ALA ASP GLU FTY LEU NH2 0.415385 0.666667
111 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.414966 0.779661
112 GLU GLN TYR LYS PHE TYR SER VAL 0.414815 0.807018
113 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.414634 0.740741
114 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.413333 0.676923
115 LEU PRO PHE ASP LYS THR THR ILE MET 0.412903 0.742424
116 LEU LYS THR LYS LEU LEU 0.412281 0.843137
117 VAL GLN GLN GLU SER SER PHE VAL MET 0.412214 0.851852
118 ASP ALA GLU PHE ARG HIS ASP 0.412214 0.745455
119 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.412162 0.651515
120 ALA THR PRO PHE GLN GLU 0.411765 0.733333
121 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.411348 0.766667
122 THR ARG ARG GLU THR GLN LEU 0.41129 0.803571
123 GLY ASN TYR SER PHE TYR ALA LEU 0.410853 0.821429
124 GLU LEU ASP LYS TYR ALA SER 0.410448 0.87037
125 ARG GLN ALA ASN PHE LEU GLY LYS 0.409449 0.843137
126 LEU PRO PHE ASP ARG THR THR ILE MET 0.408805 0.680556
127 GLY ASN PHE LEU GLN SER ARG 0.408759 0.842105
128 SER LEU ARG PHE LEU TYR GLU GLY 0.407143 0.786885
129 THR ASN GLU PHE ALA PHE 0.40678 0.711538
130 THR LEU ILE ASP LEU THR GLU LEU ILE 0.406504 0.82
131 GLY GLY LYS LYS ARG TYR LYS LEU 0.406015 0.75
132 GLY GLY ARG LYS LYS TYR LYS LEU 0.406015 0.75
133 GLY GLY LYS LYS LYS TYR ARG LEU 0.406015 0.75
134 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.405229 0.693548
135 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.405063 0.692308
136 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.405063 0.701493
137 GLU VAL ASN 1OL ALA GLU PHE 0.404255 0.843137
138 PRO LEU GLU PSA ARG LEU 0.40411 0.786885
139 FME TYR PHE ILE ASN ILE LEU THR LEU 0.402778 0.75
140 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.402685 0.676923
141 ALA ILE PHE GLN SER SER MET THR LYS 0.401408 0.824561
142 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.4 0.767857
143 TRP GLU GLU LEU 0.4 0.684211
144 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.4 0.740741
145 ACE MET GLU GLU VAL PHE 0.4 0.722222
Similar Ligands (3D)
Ligand no: 1; Ligand: LEU ASP GLU GLU THR GLY GLU PHE LEU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FNU; Ligand: L6I; 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: 5fnu.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
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