Receptor
PDB id Resolution Class Description Source Keywords
4UW6 1.79 Å NON-ENZYME: BINDING HUMAN GALECTIN-7 IN COMPLEX WITH A GALACTOSE BASED DENDRON D HOMO SAPIENS SUGAR BINDING PROTEIN LECTIN DENDRIMERS MULTIVALENCY CARBOHYDRATE BINDING
Ref.: STRUCTURAL BASIS OF MULTIVALENT GALACTOSE-BASED DEN RECOGNITION BY HUMAN GALECTIN-7. FEBS J. V. 282 372 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VV7 B:1136;
Valid;
none;
submit data
1810.46 C69 H77 N20 O39 c1c(c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZXE 1.67 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-7 IN COMPLEX WITH A GALACTOSE-BENZYLPHOSPHATE INHIBITOR HOMO SAPIENS SUGAR BINDING PROTEIN
Ref.: INHIBITION MECHANISM OF HUMAN GALECTIN-7 BY A NOVEL GALACTOSE-BENZYLPHOSPHATE INHIBITOR. FEBS J. V. 279 193 2012
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 families.
1 3GAL - 1GN C6 H13 N O5 C([C@@H]1[....
2 4UW6 - VV7 C69 H77 N20 O39 c1c(cc(cc1....
3 2GAL - GAL C6 H12 O6 C([C@@H]1[....
4 4GAL - GAL BGC n/a n/a
5 4UW3 - 50G C31 H50 N10 O18 c1c(nnn1[C....
6 4UW4 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
7 3ZXE Kd = 450 uM PGZ C22 H28 N O8 P S Cc1ccc(cc1....
8 5GAL - NAG GAL n/a n/a
9 4UW5 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 families.
1 5H9S Kd = 87 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
2 5H9Q Kd = 38 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
3 4XBQ Kd = 270 uM GAL NAG n/a n/a
4 3GAL - 1GN C6 H13 N O5 C([C@@H]1[....
5 4UW6 - VV7 C69 H77 N20 O39 c1c(cc(cc1....
6 2GAL - GAL C6 H12 O6 C([C@@H]1[....
7 4GAL - GAL BGC n/a n/a
8 4UW3 - 50G C31 H50 N10 O18 c1c(nnn1[C....
9 4UW4 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
10 3ZXE Kd = 450 uM PGZ C22 H28 N O8 P S Cc1ccc(cc1....
11 5GAL - NAG GAL n/a n/a
12 4UW5 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
50% Homology Family (127)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5NF9 Kd = 4.7 uM 8VW C22 H32 N2 O12 CC(=O)N[C@....
2 5E8A Kd = 0.034 uM 5KS C28 H30 F2 N6 O8 S c1cc(ccc1c....
3 6QLQ Kd = 31 uM J4E C21 H22 F N3 O4 S Cc1ccc(cc1....
4 1A3K - GAL NAG n/a n/a
5 3T1M Kd = 0.91 mM DQT C23 H27 N O7 Cc1ccc(cc1....
6 6RHM - J1E C25 H26 F2 N6 O5 S c1cc(cc(c1....
7 4LBL Kd = 11 uM BGC SIA GAL n/a n/a
8 6I77 Kd = 11 uM H5Q C21 H20 F4 N4 O4 S Cc1ccc(cc1....
9 2NMN Kd = 260 uM GAL BGC n/a n/a
10 4R9B - LAT C12 H22 O11 C([C@@H]1[....
11 6RHL - J0T C25 H26 F2 N6 O5 S c1cc(cc(c1....
12 2NN8 Kd = 260 uM LAT C12 H22 O11 C([C@@H]1[....
13 6QLP Kd = 22 uM J3Q C21 H20 F3 N3 O4 S Cc1ccc(cc1....
14 4JC1 Kd = 50 uM TDG C12 H22 O10 S C([C@@H]1[....
15 4R9A - LAT C12 H22 O11 C([C@@H]1[....
16 6QLS Kd = 15 uM HRK C20 H27 N3 O9 S c1ccc(cc1)....
17 5EXO - 5SY C19 H22 O9 CC(=O)O[C@....
18 5ODY Kd = 7.5 nM 9SK C30 H28 F5 N3 O11 S c1cc(c(c2c....
19 5E88 Kd = 0.065 uM 5KT C24 H28 N6 O8 S3 c1cscc1c2c....
20 4R9D - LAT C12 H22 O11 C([C@@H]1[....
21 6QLR Kd = 8.8 uM J4N C21 H21 F2 N3 O4 S Cc1ccc(cc1....
22 1KJL Kd = 67 uM GAL NAG n/a n/a
23 6QLU Kd = 5.2 uM J62 C22 H24 F N3 O4 S Cc1ccc(cc1....
24 3T1L Kd = 0.55 mM MQT C17 H22 O8 Cc1ccc(cc1....
25 2XG3 Kd = 18.2 uM UNU GAL NAG n/a n/a
26 4LBJ Kd = 0.39 uM GAL NAG GAL BGC n/a n/a
27 6QLN Kd = 88 uM J5Q C21 H22 F N3 O4 S Cc1ccc(cc1....
28 4R9C - LAT C12 H22 O11 C([C@@H]1[....
29 6I74 Kd = 3.4 uM H5Z C21 H18 F5 N3 O4 S Cc1ccc(cc1....
30 3ZSJ Kd = 231 uM LAT C12 H22 O11 C([C@@H]1[....
31 4LBM Kd = 0.97 uM BGC GAL NAG GAL n/a n/a
32 1KJR Kd = 0.88 uM BEK GAL NAG n/a n/a
33 6EOL Kd = 0.037 uM BKH C20 H16 Cl2 F3 N3 O4 S c1cc(c(cc1....
34 6I78 Kd = 18 uM H5H C22 H22 F4 N4 O4 S Cc1ccc(cc1....
35 6QGE Kd = 0.00000145 M J1E C25 H26 F2 N6 O5 S c1cc(cc(c1....
36 6G0V Kd = 166 uM EGZ C18 H25 N O13 S C1[C@H](NC....
37 3AYE - LAT C12 H22 O11 C([C@@H]1[....
38 6QLT Kd = 23 uM J5W C21 H22 F N3 O4 S Cc1ccc(cc1....
39 6EOG Kd = 1.6 uM BKK C20 H17 Cl F3 N3 O4 S c1cc(cc(c1....
40 5E89 Kd = 0.014 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
41 4LBO Kd = 1.7 uM BGC GAL SIA n/a n/a
42 6QGF Kd = 0.00000145 M J0T C25 H26 F2 N6 O5 S c1cc(cc(c1....
43 6I76 Kd = 8.5 uM H5N C21 H18 F4 N6 O4 S Cc1ccc(cc1....
44 2NMO Kd = 260 uM GAL BGC n/a n/a
45 3AYC Kd = 57 uM GAL NGA GAL BGC SIA n/a n/a
46 4JCK Kd = 4.3 mM 1LL C12 H22 O10 S C([C@@H]1[....
47 5NFA Kd = 5.6 uM 8VQ C24 H36 N2 O12 CC(=O)N[C@....
48 4LBK Kd = 0.32 uM GAL NAG GAL BGC n/a n/a
49 5OAX Kd = 12 nM 9Q5 C30 H30 F3 N3 O11 S c1cc(cc(c1....
50 4RL7 - LAT C12 H22 O11 C([C@@H]1[....
51 6QLO Kd = 92 uM J5E C21 H21 F2 N3 O4 S Cc1ccc(cc1....
52 3AYD Kd = 65 uM NPO A2G GAL n/a n/a
53 4LBN Kd = 0.65 uM GLC GAL NAG GAL n/a n/a
54 6I75 Kd = 23 uM H5T C21 H19 F4 N3 O5 S Cc1ccc(cc1....
55 1G86 - NEQ C6 H7 N O2 CCN1C(=O)C....
56 1QKQ - MAN C6 H12 O6 C([C@@H]1[....
57 1HDK - PMB C6 H5 Hg O3 S c1cc(ccc1S....
58 6QRN - RIP C5 H10 O5 C1[C@H]([C....
59 2D6N - GAL NAG n/a n/a
60 2D6M - LBT C12 H22 O11 C([C@@H]1[....
61 2D6O - NAG GAL GAL NAG n/a n/a
62 4XBN Kd = 93 uM GAL NAG n/a n/a
63 5H9R Kd = 0.84 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
64 5H9P Kd = 0.068 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
65 5DG2 - GAL GLC n/a n/a
66 5EWS - GAL BGC n/a n/a
67 5NM1 - LBT C12 H22 O11 C([C@@H]1[....
68 5NLD - LBT C12 H22 O11 C([C@@H]1[....
69 5NMJ - LBT C12 H22 O11 C([C@@H]1[....
70 5NLH - LBT C12 H22 O11 C([C@@H]1[....
71 5NLE - LBT C12 H22 O11 C([C@@H]1[....
72 4XBL Kd = 340 uM GAL NAG n/a n/a
73 4Y24 Kd = 0.22 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
74 3T2T - MQT C17 H22 O8 Cc1ccc(cc1....
75 3OY8 Kd = 220 uM GAL GCO n/a n/a
76 2EAL - GAL NGA A2G n/a n/a
77 2ZHL Kd = 3 uM NAG GAL GAL NAG n/a n/a
78 2ZHK Kd = 3 uM NAG GAL GAL NAG n/a n/a
79 2ZHN - NAG GAL NAG GAL GAL NAG n/a n/a
80 2ZHM - NAG GAL GAL NAG GAL n/a n/a
81 2EAK - LBT C12 H22 O11 C([C@@H]1[....
82 3WLU - LSE C18 H36 O10 Se Si C[Si](C)(C....
83 5H9S Kd = 87 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
84 5H9Q Kd = 38 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
85 4XBQ Kd = 270 uM GAL NAG n/a n/a
86 6A62 - LAT C12 H22 O11 C([C@@H]1[....
87 6A64 - LAT C12 H22 O11 C([C@@H]1[....
88 6A63 - LAT C12 H22 O11 C([C@@H]1[....
89 5T7S Kd = 3.1 uM LBT C12 H22 O11 C([C@@H]1[....
90 4BMB Ka = 13000 M^-1 LAT C12 H22 O11 C([C@@H]1[....
91 5T7I Kd = 0.33 uM LAT NAG GAL n/a n/a
92 3VKO - SIA GAL NAG n/a n/a
93 4BME Ka = 13000 M^-1 LBT C12 H22 O11 C([C@@H]1[....
94 5T7T Kd = 2.1 uM GAL NAG n/a n/a
95 3I8T Kd = 600 uM LBT C12 H22 O11 C([C@@H]1[....
96 3WV6 - GAL BGC n/a n/a
97 3NV2 - GAL NDG n/a n/a
98 3NV4 - SIA GAL BGC n/a n/a
99 3NV3 - GAL NAG MAN n/a n/a
100 3WUD Kd = 41 uM GLC GAL n/a n/a
101 3GAL - 1GN C6 H13 N O5 C([C@@H]1[....
102 4UW6 - VV7 C69 H77 N20 O39 c1c(cc(cc1....
103 2GAL - GAL C6 H12 O6 C([C@@H]1[....
104 4GAL - GAL BGC n/a n/a
105 4UW3 - 50G C31 H50 N10 O18 c1c(nnn1[C....
106 4UW4 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
107 3ZXE Kd = 450 uM PGZ C22 H28 N O8 P S Cc1ccc(cc1....
108 5GAL - NAG GAL n/a n/a
109 4UW5 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
110 1A78 - TDG C12 H22 O10 S C([C@@H]1[....
111 5DUW Kd = 510 uM 5GO C12 H22 O14 S C([C@@H]1[....
112 5DUV Kd = 1300 uM LAT C12 H22 O11 C([C@@H]1[....
113 5DUX Kd = 380 uM LAT FUC n/a n/a
114 4WVV - LBT C12 H22 O11 C([C@@H]1[....
115 4WVW - SLT C23 H39 N O19 CC(=O)N[C@....
116 4YLZ Kd = 270 uM LAT NAG GAL n/a n/a
117 5CBL - LAT C12 H22 O11 C([C@@H]1[....
118 4YM0 Kd = 510 uM LAT NAG GAL n/a n/a
119 4YM2 Kd = 1400 uM SGA BGC n/a n/a
120 4YM3 Kd = 1900 uM LAT C12 H22 O11 C([C@@H]1[....
121 4YM1 Kd = 580 uM LAT FUC n/a n/a
122 1IS4 - LAT C12 H22 O11 C([C@@H]1[....
123 1WLD - GAL BGC n/a n/a
124 6FOF - LAT C12 H22 O11 C([C@@H]1[....
125 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
126 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[C@....
127 1SLA - NAG MAN GAL BMA NAG MAN NAG GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VV7; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 VV7 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZXE; Ligand: PGZ; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3zxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3VV1 GAL FUC 42.8571
2 3VV1 GAL FUC 42.8571
Pocket No.: 2; Query (leader) PDB : 3ZXE; Ligand: PGZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3zxe.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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