Receptor
PDB id Resolution Class Description Source Keywords
4XZS 2.12 Å NON-ENZYME: CELL_CYCLE CRYSTAL STRUCTURE OF TRIAP1-MBP FUSION ESCHERICHIA COLI K-12, HOMO SAPIENS APOPTOSIS LIPID CX9CX MOTIF CANCER MITOCHONDRIA CHAPERO
Ref.: STRUCTURAL INSIGHT INTO THE TRIAP1/PRELI-LIKE DOMAI OF MITOCHONDRIAL PHOSPHOLIPID TRANSFER COMPLEXES. EMBO REP. V. 16 824 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
358.296 n/a O1C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XZS 2.12 Å NON-ENZYME: CELL_CYCLE CRYSTAL STRUCTURE OF TRIAP1-MBP FUSION ESCHERICHIA COLI K-12, HOMO SAPIENS APOPTOSIS LIPID CX9CX MOTIF CANCER MITOCHONDRIA CHAPERO
Ref.: STRUCTURAL INSIGHT INTO THE TRIAP1/PRELI-LIKE DOMAI OF MITOCHONDRIAL PHOSPHOLIPID TRANSFER COMPLEXES. EMBO REP. V. 16 824 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 4XZS - GLC GLC n/a n/a
70% Homology Family (87)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3VD8 - MTT C24 H42 O21 C([C@@H]1[....
2 3JYR Kd = 248 uM ACR C25 H43 N O18 C[C@@H]1[C....
3 4IFP - MAL C12 H22 O11 C([C@@H]1[....
4 3SET - MAL C12 H22 O11 C([C@@H]1[....
5 3SEY - MAL C12 H22 O11 C([C@@H]1[....
6 5B3Y - MAL C12 H22 O11 C([C@@H]1[....
7 1JW5 - GLC GLC n/a n/a
8 3Q29 - MAL C12 H22 O11 C([C@@H]1[....
9 1FQC - GLO GLC GLC n/a n/a
10 1ANF Ki = 3.5 uM GLC GLC n/a n/a
11 3MBP Ki = 0.16 uM GLC GLC GLC n/a n/a
12 1DMB Kd = 1.8 uM BCD C42 H70 O35 C([C@@H]1[....
13 1FQB - SOR GLC GLC n/a n/a
14 3SEU - MAL C12 H22 O11 C([C@@H]1[....
15 5B3X - MAL C12 H22 O11 C([C@@H]1[....
16 3G7W - MLR C18 H32 O16 C([C@@H]1[....
17 3Q26 - MAL C12 H22 O11 C([C@@H]1[....
18 4MBP Ki = 2.3 uM GLC GLC GLC GLC n/a n/a
19 1FQD - GLO GLC GLC GLC n/a n/a
20 3Q25 - MAL C12 H22 O11 C([C@@H]1[....
21 4JBZ - MAL C12 H22 O11 C([C@@H]1[....
22 3SER - MAL C12 H22 O11 C([C@@H]1[....
23 1LAX Kd = 2 uM GLC GLC n/a n/a
24 3SES - MAL C12 H22 O11 C([C@@H]1[....
25 1MDP - MAL C12 H22 O11 C([C@@H]1[....
26 1MDQ - MAL C12 H22 O11 C([C@@H]1[....
27 3SEX - MAL C12 H22 O11 C([C@@H]1[....
28 1JVX - MAL C12 H22 O11 C([C@@H]1[....
29 5B3Z - MAL C12 H22 O11 C([C@@H]1[....
30 1NL5 Kd = 6 nM MAL C12 H22 O11 C([C@@H]1[....
31 3G7V - MAL C12 H22 O11 C([C@@H]1[....
32 3RUM - MAL C12 H22 O11 C([C@@H]1[....
33 1JVY - MAL C12 H22 O11 C([C@@H]1[....
34 3Q28 - MAL C12 H22 O11 C([C@@H]1[....
35 3SEW - MAL C12 H22 O11 C([C@@H]1[....
36 3LBS - MAL C12 H22 O11 C([C@@H]1[....
37 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
38 3Q27 - MAL C12 H22 O11 C([C@@H]1[....
39 5BMY - MAL C12 H22 O11 C([C@@H]1[....
40 1FQA - SOR GLC GLC GLC n/a n/a
41 1MPD - MAL C12 H22 O11 C([C@@H]1[....
42 4RG5 - MAL C12 H22 O11 C([C@@H]1[....
43 3HPI Kd = 6.6 uM SUC C12 H22 O11 C([C@@H]1[....
44 5B3W - MAL C12 H22 O11 C([C@@H]1[....
45 2VGQ - MTT C24 H42 O21 C([C@@H]1[....
46 5IHJ - MLR C18 H32 O16 C([C@@H]1[....
47 5CFV - MAL C12 H22 O11 C([C@@H]1[....
48 5II5 - MAL C12 H22 O11 C([C@@H]1[....
49 5II4 - MAL C12 H22 O11 C([C@@H]1[....
50 5IQZ - MAL C12 H22 O11 C([C@@H]1[....
51 4WMT - 865 C37 H36 N6 O4 Cc1ccnc(c1....
52 4WGI - MAL C12 H22 O11 C([C@@H]1[....
53 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
54 4WMV ic50 = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
55 4WMW - MAL C12 H22 O11 C([C@@H]1[....
56 4WMS - MAL C12 H22 O11 C([C@@H]1[....
57 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
58 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
59 5OSQ - MAL C12 H22 O11 C([C@@H]1[....
60 3D4G - MAL C12 H22 O11 C([C@@H]1[....
61 4WTH - MAL C12 H22 O11 C([C@@H]1[....
62 4YS9 - MAL C12 H22 O11 C([C@@H]1[....
63 4TSM - MTT C24 H42 O21 C([C@@H]1[....
64 4MY2 - MAL C12 H22 O11 C([C@@H]1[....
65 4KYC - MAL C12 H22 O11 C([C@@H]1[....
66 1HSJ - GLC GLC n/a n/a
67 5HZ7 - MLR C18 H32 O16 C([C@@H]1[....
68 3H4Z - GLC GLC n/a n/a
69 5WPZ - MAL C12 H22 O11 C([C@@H]1[....
70 5WQ6 - MAL C12 H22 O11 C([C@@H]1[....
71 5H7Q - MAL C12 H22 O11 C([C@@H]1[....
72 3OAI - MAL C12 H22 O11 C([C@@H]1[....
73 5TTD - MLR C18 H32 O16 C([C@@H]1[....
74 4KYD - MAL C12 H22 O11 C([C@@H]1[....
75 5JST - MAL C12 H22 O11 C([C@@H]1[....
76 2XZ3 - MAL C12 H22 O11 C([C@@H]1[....
77 3N94 - MAL C12 H22 O11 C([C@@H]1[....
78 4XZS - GLC GLC n/a n/a
79 5H7N - MTT C24 H42 O21 C([C@@H]1[....
80 4PE2 - MAL MAL n/a n/a
81 4IKM - MAL C12 H22 O11 C([C@@H]1[....
82 1Y4C - GLC GLC n/a n/a
83 5C7R - MLR C18 H32 O16 C([C@@H]1[....
84 5DFM - MAL C12 H22 O11 C([C@@H]1[....
85 4IRL - MTT C24 H42 O21 C([C@@H]1[....
86 1MG1 - MAL C12 H22 O11 C([C@@H]1[....
87 5AZ7 - MAL C12 H22 O11 C([C@@H]1[....
50% Homology Family (99)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3VD8 - MTT C24 H42 O21 C([C@@H]1[....
2 3JYR Kd = 248 uM ACR C25 H43 N O18 C[C@@H]1[C....
3 4IFP - MAL C12 H22 O11 C([C@@H]1[....
4 5I04 - MAL C12 H22 O11 C([C@@H]1[....
5 3SET - MAL C12 H22 O11 C([C@@H]1[....
6 3SEY - MAL C12 H22 O11 C([C@@H]1[....
7 5B3Y - MAL C12 H22 O11 C([C@@H]1[....
8 1JW5 - GLC GLC n/a n/a
9 3Q29 - MAL C12 H22 O11 C([C@@H]1[....
10 1FQC - GLO GLC GLC n/a n/a
11 1ANF Ki = 3.5 uM GLC GLC n/a n/a
12 3MBP Ki = 0.16 uM GLC GLC GLC n/a n/a
13 1DMB Kd = 1.8 uM BCD C42 H70 O35 C([C@@H]1[....
14 1FQB - SOR GLC GLC n/a n/a
15 3SEU - MAL C12 H22 O11 C([C@@H]1[....
16 5B3X - MAL C12 H22 O11 C([C@@H]1[....
17 3G7W - MLR C18 H32 O16 C([C@@H]1[....
18 3Q26 - MAL C12 H22 O11 C([C@@H]1[....
19 4MBP Ki = 2.3 uM GLC GLC GLC GLC n/a n/a
20 1FQD - GLO GLC GLC GLC n/a n/a
21 3Q25 - MAL C12 H22 O11 C([C@@H]1[....
22 4JBZ - MAL C12 H22 O11 C([C@@H]1[....
23 3SER - MAL C12 H22 O11 C([C@@H]1[....
24 1LAX Kd = 2 uM GLC GLC n/a n/a
25 3SES - MAL C12 H22 O11 C([C@@H]1[....
26 1MDP - MAL C12 H22 O11 C([C@@H]1[....
27 1MDQ - MAL C12 H22 O11 C([C@@H]1[....
28 3SEX - MAL C12 H22 O11 C([C@@H]1[....
29 1JVX - MAL C12 H22 O11 C([C@@H]1[....
30 5B3Z - MAL C12 H22 O11 C([C@@H]1[....
31 1NL5 Kd = 6 nM MAL C12 H22 O11 C([C@@H]1[....
32 3G7V - MAL C12 H22 O11 C([C@@H]1[....
33 3RUM - MAL C12 H22 O11 C([C@@H]1[....
34 1JVY - MAL C12 H22 O11 C([C@@H]1[....
35 3Q28 - MAL C12 H22 O11 C([C@@H]1[....
36 3SEW - MAL C12 H22 O11 C([C@@H]1[....
37 3LBS - MAL C12 H22 O11 C([C@@H]1[....
38 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
39 3Q27 - MAL C12 H22 O11 C([C@@H]1[....
40 5BMY - MAL C12 H22 O11 C([C@@H]1[....
41 1FQA - SOR GLC GLC GLC n/a n/a
42 1MPD - MAL C12 H22 O11 C([C@@H]1[....
43 4RG5 - MAL C12 H22 O11 C([C@@H]1[....
44 3HPI Kd = 6.6 uM SUC C12 H22 O11 C([C@@H]1[....
45 5B3W - MAL C12 H22 O11 C([C@@H]1[....
46 2VGQ - MTT C24 H42 O21 C([C@@H]1[....
47 5IHJ - MLR C18 H32 O16 C([C@@H]1[....
48 5CFV - MAL C12 H22 O11 C([C@@H]1[....
49 5II5 - MAL C12 H22 O11 C([C@@H]1[....
50 5II4 - MAL C12 H22 O11 C([C@@H]1[....
51 5IQZ - MAL C12 H22 O11 C([C@@H]1[....
52 4WMT - 865 C37 H36 N6 O4 Cc1ccnc(c1....
53 4WGI - MAL C12 H22 O11 C([C@@H]1[....
54 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
55 4WMV ic50 = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
56 4WMW - MAL C12 H22 O11 C([C@@H]1[....
57 4WMS - MAL C12 H22 O11 C([C@@H]1[....
58 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
59 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
60 5OSQ - MAL C12 H22 O11 C([C@@H]1[....
61 3D4G - MAL C12 H22 O11 C([C@@H]1[....
62 4WVH - MAL C12 H22 O11 C([C@@H]1[....
63 4WVG - MAL C12 H22 O11 C([C@@H]1[....
64 4WTH - MAL C12 H22 O11 C([C@@H]1[....
65 4YS9 - MAL C12 H22 O11 C([C@@H]1[....
66 4TSM - MTT C24 H42 O21 C([C@@H]1[....
67 4MY2 - MAL C12 H22 O11 C([C@@H]1[....
68 4KYC - MAL C12 H22 O11 C([C@@H]1[....
69 1HSJ - GLC GLC n/a n/a
70 5HZ7 - MLR C18 H32 O16 C([C@@H]1[....
71 1URD - MLR C18 H32 O16 C([C@@H]1[....
72 1URS - MLR C18 H32 O16 C([C@@H]1[....
73 1URG Kd = 1.5 uM MAL C12 H22 O11 C([C@@H]1[....
74 3H4Z - GLC GLC n/a n/a
75 5WPZ - MAL C12 H22 O11 C([C@@H]1[....
76 5WQ6 - MAL C12 H22 O11 C([C@@H]1[....
77 5H7Q - MAL C12 H22 O11 C([C@@H]1[....
78 3DM0 - GLC GLC n/a n/a
79 3OAI - MAL C12 H22 O11 C([C@@H]1[....
80 5TTD - MLR C18 H32 O16 C([C@@H]1[....
81 4KYD - MAL C12 H22 O11 C([C@@H]1[....
82 5JST - MAL C12 H22 O11 C([C@@H]1[....
83 2XZ3 - MAL C12 H22 O11 C([C@@H]1[....
84 3N94 - MAL C12 H22 O11 C([C@@H]1[....
85 4QVH - FLC C6 H5 O7 C(C(=O)[O-....
86 4XZS - GLC GLC n/a n/a
87 5H7N - MTT C24 H42 O21 C([C@@H]1[....
88 4PE2 - MAL MAL n/a n/a
89 3O3U - MLR C18 H32 O16 C([C@@H]1[....
90 4IKM - MAL C12 H22 O11 C([C@@H]1[....
91 1Y4C - GLC GLC n/a n/a
92 5T05 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
93 5T0A - GNS BDP GNS IDS GNS BDP NPO n/a n/a
94 5T03 - GNS BDP GNS BDP GNS BDP NPO n/a n/a
95 5C7R - MLR C18 H32 O16 C([C@@H]1[....
96 5DFM - MAL C12 H22 O11 C([C@@H]1[....
97 4IRL - MTT C24 H42 O21 C([C@@H]1[....
98 1MG1 - MAL C12 H22 O11 C([C@@H]1[....
99 5AZ7 - MAL C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC 1 1
2 BGP 0.423077 0.707317
3 M6D 0.423077 0.707317
4 A6P 0.423077 0.707317
5 BG6 0.423077 0.707317
6 M6P 0.423077 0.707317
7 G6P 0.423077 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XZS; Ligand: GLC GLC; Similar sites found: 2
This union binding pocket(no: 1) in the query (biounit: 4xzs.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HFA PIO 0.000424 0.51975 10.7266
2 1B66 BIO 0.03641 0.40452 15.7143
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