Receptor
PDB id Resolution Class Description Source Keywords
4GHP 1.9 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF D48V||A47D MUTANT OF HUMAN GLTP BOUND W MONOSULFATIDE HOMO SAPIENS GLTP-FOLD LIPID TRANSPORT
Ref.: STRUCTURAL INSIGHTS INTO LIPID-DEPENDENT REVERSIBLE DIMERIZATION OF HUMAN GLTP. ACTA CRYSTALLOGR.,SECT.D V. 69 603 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EIS A:301;
Valid;
none;
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723.998 C36 H69 N O11 S CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EVL 2.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HUMAN GLYCOLIPID TRANSFER PROTEIN COMPL 18:2 GALACTOSYLCERAMIDE HOMO SAPIENS PROTEIN-GLYCOLIPID COMPLEX LIPID TRANSPORT
Ref.: THE LIGANDING OF GLYCOLIPID TRANSFER PROTEIN IS CON BY GLYCOLIPID ACYL STRUCTURE. PLOS BIOL. V. 4 E362 2006
Members (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4GHP - EIS C36 H69 N O11 S CCCCCCCCCC....
2 4GJQ - CIS C48 H91 N O11 S CCCCCCCCCC....
3 2EVL Kd = 0.2 uM GAL SPH EIC n/a n/a
4 3RIC - CIS C48 H91 N O11 S CCCCCCCCCC....
5 3S0I - CIS C48 H91 N O11 S CCCCCCCCCC....
6 2BV7 - GM3 C50 H99 N O8 CCCCCCCCCC....
7 4GXD - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
8 2EUM Kd = 0.2 uM LAT SPH OCA n/a n/a
9 3S0K - 03F C42 H79 N O8 CCCCCCCCCC....
10 4GIX - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
11 4GXG - EIS C36 H69 N O11 S CCCCCCCCCC....
12 4GH0 - EIS C36 H69 N O11 S CCCCCCCCCC....
13 1WBE - DKA C10 H20 O2 CCCCCCCCCC....
14 3RZN - CIS C48 H91 N O11 S CCCCCCCCCC....
15 2EVD - LAT SPH DAO n/a n/a
16 1TFJ - DKA C10 H20 O2 CCCCCCCCCC....
17 2EUK Kd = 0.25 uM GAL SPH NER n/a n/a
18 4H2Z - EIS C36 H69 N O11 S CCCCCCCCCC....
19 2EVS - GLC HEX n/a n/a
20 1SX6 - LAT SPH OLA n/a n/a
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 4GHP - EIS C36 H69 N O11 S CCCCCCCCCC....
2 4GJQ - CIS C48 H91 N O11 S CCCCCCCCCC....
3 2EVL Kd = 0.2 uM GAL SPH EIC n/a n/a
4 3RIC - CIS C48 H91 N O11 S CCCCCCCCCC....
5 3S0I - CIS C48 H91 N O11 S CCCCCCCCCC....
6 2BV7 - GM3 C50 H99 N O8 CCCCCCCCCC....
7 4GXD - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
8 2EUM Kd = 0.2 uM LAT SPH OCA n/a n/a
9 3S0K - 03F C42 H79 N O8 CCCCCCCCCC....
10 4GIX - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
11 4GXG - EIS C36 H69 N O11 S CCCCCCCCCC....
12 4GH0 - EIS C36 H69 N O11 S CCCCCCCCCC....
13 1WBE - DKA C10 H20 O2 CCCCCCCCCC....
14 3RZN - CIS C48 H91 N O11 S CCCCCCCCCC....
15 2EVD - LAT SPH DAO n/a n/a
16 1TFJ - DKA C10 H20 O2 CCCCCCCCCC....
17 2EUK Kd = 0.25 uM GAL SPH NER n/a n/a
18 4H2Z - EIS C36 H69 N O11 S CCCCCCCCCC....
19 2EVS - GLC HEX n/a n/a
20 1SX6 - LAT SPH OLA n/a n/a
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 4GHP - EIS C36 H69 N O11 S CCCCCCCCCC....
2 4GJQ - CIS C48 H91 N O11 S CCCCCCCCCC....
3 2EVL Kd = 0.2 uM GAL SPH EIC n/a n/a
4 3RIC - CIS C48 H91 N O11 S CCCCCCCCCC....
5 3S0I - CIS C48 H91 N O11 S CCCCCCCCCC....
6 2BV7 - GM3 C50 H99 N O8 CCCCCCCCCC....
7 4GXD - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
8 2EUM Kd = 0.2 uM LAT SPH OCA n/a n/a
9 3S0K - 03F C42 H79 N O8 CCCCCCCCCC....
10 4GIX - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
11 4GXG - EIS C36 H69 N O11 S CCCCCCCCCC....
12 4GH0 - EIS C36 H69 N O11 S CCCCCCCCCC....
13 1WBE - DKA C10 H20 O2 CCCCCCCCCC....
14 3RZN - CIS C48 H91 N O11 S CCCCCCCCCC....
15 2EVD - LAT SPH DAO n/a n/a
16 1TFJ - DKA C10 H20 O2 CCCCCCCCCC....
17 2EUK Kd = 0.25 uM GAL SPH NER n/a n/a
18 4H2Z - EIS C36 H69 N O11 S CCCCCCCCCC....
19 2EVS - GLC HEX n/a n/a
20 1SX6 - LAT SPH OLA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EIS; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 SLF 1 1
2 EIS 1 1
3 CIS 0.963855 1
4 0SG 0.822222 0.986111
5 SFT 0.755319 1
6 03F 0.733333 0.75
7 BGC 18C GAL 0.65 0.753425
8 IGC 0.647619 0.753425
9 LGN 0.647619 0.753425
10 JLS 0.538462 0.726027
11 1PZ 0.522222 0.675676
12 1PX 0.522222 0.675676
13 GM3 0.50505 0.722222
14 DB6 0.504505 0.726027
15 BGC 18C GAL SIA 0.50365 0.74026
16 FEE 0.49505 0.712329
17 PBS 0.49505 0.712329
18 0SH 0.49505 0.712329
19 AGH 0.49505 0.712329
20 F61 0.49505 0.712329
21 SIA GAL BGC 16C 0.457143 0.74026
22 3XU 0.457143 0.621951
23 BGC 18C GAL NGA SIA GAL 0.43871 0.74026
24 7LM 0.428571 0.693333
25 C8F 0.428571 0.658228
26 C1Q 0.428571 0.693333
27 C8P 0.428571 0.693333
28 GAL SPH EIC 0.426087 0.702703
29 C6Q 0.420168 0.693333
30 GGD 0.411765 0.616438
31 1PW 0.410526 0.662162
32 LAT SPH OCA 0.410256 0.706667
33 GAL SPH NER 0.401786 0.689189
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2EVL; Ligand: GAL SPH EIC; 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: 2evl.bio1) has 78 residues
No: Leader PDB Ligand Sequence Similarity
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