Receptor
PDB id Resolution Class Description Source Keywords
5B09 1.7 Å EC: 4.4.1.26 POLYKETIDE CYCLASE OAC FROM CANNABIS SATIVA BOUND WITH OLIVE CANNABIS SATIVA CANNABIS SATIVA PLANT POLYKETIDE CYCLASE LYASE
Ref.: STRUCTURAL BASIS FOR OLIVETOLIC ACID FORMATION BY A POLYKETIDE CYCLASE FROM CANNABIS SATIVA FEBS J. V. 283 1088 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4MX A:201;
 Valid;
 none;
 submit data
224.253 C12 H16 O4 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5B09 1.7 Å EC: 4.4.1.26 POLYKETIDE CYCLASE OAC FROM CANNABIS SATIVA BOUND WITH OLIVE CANNABIS SATIVA CANNABIS SATIVA PLANT POLYKETIDE CYCLASE LYASE
Ref.: STRUCTURAL BASIS FOR OLIVETOLIC ACID FORMATION BY A POLYKETIDE CYCLASE FROM CANNABIS SATIVA FEBS J. V. 283 1088 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5B09 - 4MX C12 H16 O4 CCCCCc1cc(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5B09 - 4MX C12 H16 O4 CCCCCc1cc(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5Y02 - HBX C7 H6 O c1ccc(cc1)....
2 5B09 - 4MX C12 H16 O4 CCCCCc1cc(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4MX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4MX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4MX; Similar ligands found: 90
No: Ligand Similarity coefficient
1 SNY 0.9133
2 3M8 0.9117
3 HPT 0.9076
4 APQ 0.9050
5 SXX 0.9047
6 NBV 0.9041
7 OSB 0.9030
8 AC2 0.9023
9 M4B 0.9018
10 NQH 0.9012
11 QZ8 0.8978
12 3JN 0.8923
13 28S 0.8913
14 A1Y 0.8893
15 PLP 0.8893
16 NPL 0.8888
17 R4E 0.8871
18 PVK 0.8871
19 6HP 0.8869
20 G6P 0.8858
21 SYR 0.8835
22 IBM 0.8829
23 XFE 0.8827
24 CPW 0.8826
25 NW1 0.8825
26 PVQ 0.8825
27 L21 0.8825
28 T6Z 0.8824
29 3JL 0.8822
30 CRZ 0.8821
31 JR2 0.8820
32 9F8 0.8810
33 3RI 0.8805
34 FUZ 0.8804
35 OUB 0.8800
36 96R 0.8799
37 5OF 0.8795
38 QUB 0.8792
39 N7I 0.8790
40 9GP 0.8775
41 CGW 0.8769
42 B4O 0.8765
43 KED 0.8764
44 5WM 0.8761
45 15A 0.8754
46 CG8 0.8751
47 CR1 0.8749
48 RGG 0.8742
49 Q5M 0.8738
50 JAA 0.8738
51 BDI 0.8737
52 1VQ 0.8730
53 ALN 0.8724
54 MIG 0.8719
55 LQG 0.8715
56 3WJ 0.8712
57 P0P 0.8712
58 ZIP 0.8710
59 OX2 0.8703
60 O2Y 0.8699
61 67Y 0.8691
62 GI1 0.8690
63 3JM 0.8687
64 MBP 0.8682
65 25O 0.8677
66 LLG 0.8656
67 5WU 0.8655
68 AUY 0.8653
69 96U 0.8652
70 F5C 0.8643
71 512 0.8642
72 C1F 0.8621
73 EXL 0.8620
74 5WT 0.8616
75 X0T 0.8613
76 55D 0.8608
77 C9M 0.8607
78 S7B 0.8607
79 EBQ 0.8591
80 GA2 0.8588
81 1QV 0.8581
82 H35 0.8579
83 ML1 0.8578
84 KLK 0.8566
85 CKU 0.8565
86 CCV 0.8563
87 2LX 0.8561
88 A7K 0.8556
89 C93 0.8552
90 3B4 0.8540
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5B09; Ligand: 4MX; 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: 5b09.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5B09; Ligand: 4MX; 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: 5b09.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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