Receptor
PDB id Resolution Class Description Source Keywords
1LOX 2.4 Å EC: 1.13.11.33 RABBIT RETICULOCYTE 15-LIPOXYGENASE ORYCTOLAGUS CUNICULUS OXIDOREDUCTASE 15LO_DEPOT2
Ref.: THE STRUCTURE OF MAMMALIAN 15-LIPOXYGENASE REVEALS SIMILARITY TO THE LIPASES AND THE DETERMINANTS OF S SPECIFICITY. NAT.STRUCT.BIOL. V. 4 1003 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE2 A:840;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
RS7 A:841;
Valid;
none;
Ki = 3 uM
256.339 C17 H20 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LOX 2.4 Å EC: 1.13.11.33 RABBIT RETICULOCYTE 15-LIPOXYGENASE ORYCTOLAGUS CUNICULUS OXIDOREDUCTASE 15LO_DEPOT2
Ref.: THE STRUCTURE OF MAMMALIAN 15-LIPOXYGENASE REVEALS SIMILARITY TO THE LIPASES AND THE DETERMINANTS OF S SPECIFICITY. NAT.STRUCT.BIOL. V. 4 1003 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2P0M - RS7 C17 H20 O2 CCCCCCC#Cc....
2 1LOX Ki = 3 uM RS7 C17 H20 O2 CCCCCCC#Cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2P0M - RS7 C17 H20 O2 CCCCCCC#Cc....
2 1LOX Ki = 3 uM RS7 C17 H20 O2 CCCCCCC#Cc....
3 3RDE - OYP C23 H34 O3 CCCCCCCCCC....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FG4 - ACD C20 H32 O2 CCCCCC=C/C....
2 4QWT - ACD C20 H32 O2 CCCCCC=C/C....
3 2P0M - RS7 C17 H20 O2 CCCCCCC#Cc....
4 1LOX Ki = 3 uM RS7 C17 H20 O2 CCCCCCC#Cc....
5 3RDE - OYP C23 H34 O3 CCCCCCCCCC....
6 3V99 - ACD C20 H32 O2 CCCCCC=C/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RS7; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RS7 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LOX; Ligand: RS7; Similar sites found: 45
This union binding pocket(no: 1) in the query (biounit: 1lox.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.01871 0.40078 None
2 3HYW DCQ 0.005298 0.42878 1.16279
3 4NWJ 3PG 0.004127 0.44076 1.55945
4 2Z9I GLY ALA THR VAL 0.01442 0.41609 1.85185
5 3EE4 MYR 0.01137 0.40127 1.85759
6 3VRV YSD 0.02521 0.41179 2.21402
7 3B9Z CO2 0.02943 0.40612 2.31959
8 1XRO LEU 0.02234 0.40346 2.38908
9 1I0B PEL 0.001962 0.4593 2.40964
10 5AZC PGT 0.0496 0.41293 3
11 2QCX PF1 0.01433 0.41135 3.04183
12 4X8D AVI 0.007091 0.43307 3.13199
13 3SQP 3J8 0.02101 0.4048 3.55649
14 4EHU ANP 0.01229 0.40295 3.98551
15 4V3I ASP LEU THR ARG PRO 0.01098 0.41234 4.28016
16 5CHR 4NC 0.01901 0.40596 4.37956
17 4YMU ARG 0.006294 0.43255 4.58333
18 1W2D ADP 0.004172 0.42608 4.90566
19 5LXB 7A9 0.02066 0.40101 4.95868
20 2O4C NAD 0.02182 0.40062 5.26316
21 4G8R 96P 0.01342 0.41517 5.31915
22 5U75 SIA GAL NDG FUC 0.01281 0.41862 5.35714
23 3EWC MCF 0.007982 0.41315 5.39084
24 3KDU NKS 0.04267 0.40029 5.41516
25 3W54 RNB 0.009275 0.40147 5.47112
26 4RC8 STE 0.001657 0.44118 5.85586
27 4I9B 1KA 0.001928 0.43966 5.99613
28 1KQR MNA 0.02696 0.40484 6.14525
29 4M51 BEZ 0.006241 0.40585 6.32318
30 5X20 AOT 0.02324 0.40056 6.41026
31 2ALG DAO 0.01637 0.40951 6.52174
32 1X8D RNS 0.02119 0.40049 6.73077
33 2C43 COA 0.00726 0.41185 7.12074
34 1L0I PSR 0.019 0.40611 7.69231
35 5K53 STE 0.002833 0.40116 8.39695
36 5KAX RHQ 0.01759 0.40458 10.8434
37 1E6E FAD 0.01772 0.41041 11.7188
38 2GTE VA 0.01086 0.40542 12.0968
39 5BV6 35G 0.006742 0.40796 13.1579
40 1XX4 BAM 0.004895 0.43102 13.7931
41 1S9D AFB 0.01036 0.40721 15.8537
42 3G08 FEE 0.04214 0.40415 20.202
43 5MWE TCE 0.0001353 0.51086 27.1429
44 5X8Q 82R 0.009835 0.40581 27.2727
45 1JNQ EGT 0.00000001572 0.6363 34.8943
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