-->
Receptor
PDB id Resolution Class Description Source Keywords
1JF0 1.82 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF OBELIN FROM OBELIA GENICULATA AT 1. RESOLUTION OBELIA LONGISSIMA BIOLUMINESCENCE CALCIUM-REGULATED PHOTOPROTEIN OBELIN OBEHYDROID LUMINESCENT PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF OBELIN FROM OBELIA GENICUL 1.82 ANGSTROM RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CZH A:197;
Valid;
none;
submit data
455.462 C26 H21 N3 O5 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JF0 1.82 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF OBELIN FROM OBELIA GENICULATA AT 1. RESOLUTION OBELIA LONGISSIMA BIOLUMINESCENCE CALCIUM-REGULATED PHOTOPROTEIN OBELIN OBEHYDROID LUMINESCENT PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF OBELIN FROM OBELIA GENICUL 1.82 ANGSTROM RESOLUTION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1JF0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UHH - CZP C25 H27 N3 O5 c1cc(ccc1C....
2 5ZAB - 9A3 C27 H20 F3 N3 O4 c1ccc(cc1)....
3 1UHJ - CZB C26 H22 Br N3 O4 c1ccc(cc1)....
4 1UHK - CZN C30 H25 N3 O4 c1ccc(cc1)....
5 1EJ3 - CZH C26 H21 N3 O5 c1ccc(cc1)....
6 3KPX - CZH C26 H21 N3 O5 c1ccc(cc1)....
7 1JF0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
8 1JF2 - CZH C26 H21 N3 O5 c1ccc(cc1)....
9 4N1F - CZH C26 H21 N3 O5 c1ccc(cc1)....
10 1EL4 - CTZ C26 H21 N3 O4 c1ccc(cc1)....
11 2F8P - CEI C25 H21 N3 O3 c1ccc(cc1)....
12 1QV0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
13 4N1G - CEI C25 H21 N3 O3 c1ccc(cc1)....
14 1QV1 - CZH C26 H21 N3 O5 c1ccc(cc1)....
15 1S36 - CEI C25 H21 N3 O3 c1ccc(cc1)....
16 1SL9 - CZH C26 H21 N3 O5 c1ccc(cc1)....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UHH - CZP C25 H27 N3 O5 c1cc(ccc1C....
2 5ZAB - 9A3 C27 H20 F3 N3 O4 c1ccc(cc1)....
3 1UHJ - CZB C26 H22 Br N3 O4 c1ccc(cc1)....
4 1UHK - CZN C30 H25 N3 O4 c1ccc(cc1)....
5 1EJ3 - CZH C26 H21 N3 O5 c1ccc(cc1)....
6 3KPX - CZH C26 H21 N3 O5 c1ccc(cc1)....
7 1JF0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
8 1JF2 - CZH C26 H21 N3 O5 c1ccc(cc1)....
9 4N1F - CZH C26 H21 N3 O5 c1ccc(cc1)....
10 1EL4 - CTZ C26 H21 N3 O4 c1ccc(cc1)....
11 2F8P - CEI C25 H21 N3 O3 c1ccc(cc1)....
12 1QV0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
13 4N1G - CEI C25 H21 N3 O3 c1ccc(cc1)....
14 1QV1 - CZH C26 H21 N3 O5 c1ccc(cc1)....
15 1S36 - CEI C25 H21 N3 O3 c1ccc(cc1)....
16 1SL9 - CZH C26 H21 N3 O5 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CZH; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CZH 1 1
2 9A3 0.846154 0.9375
3 CTZ 0.721519 0.885246
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JF0; Ligand: CZH; Similar sites found with APoc: 79
This union binding pocket(no: 1) in the query (biounit: 1jf0.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 1UO4 PIH None
3 4WG0 CHD None
4 5A4W QCT 1.02564
5 1XZ3 ICF 1.72414
6 4F06 PHB 2.05128
7 3VRV YSD 2.05128
8 6CB2 OLC 2.5641
9 5OLK DTP 2.5641
10 3KP6 SAL 2.64901
11 4WGF HX2 3.07692
12 5KDX GAL TNR 3.07692
13 2QX0 APC 3.14465
14 5NM7 GLY 3.58974
15 3HYW DCQ 3.58974
16 5M37 9SZ 3.58974
17 5AZC PGT 3.58974
18 4WRI OKA 3.64583
19 2V57 PRL 3.68421
20 1LNX URI 3.7037
21 6GSG RCO 4.10256
22 1YHM AHD 4.10256
23 3RS8 ALA TRP LEU PHE GLU ALA 4.10256
24 1VKF CIT 4.25532
25 2GBB CIT 4.48718
26 3DTU DXC 4.61538
27 5KD8 TNR 4.61538
28 5CHR 4NC 5.10949
29 2OZ5 7XY 5.12821
30 1L0I PSR 5.12821
31 2ZCQ B65 5.12821
32 4HE2 AMP 5.12821
33 2GWH PCI 5.64103
34 4URX FK1 5.64103
35 6BVM EBV 5.64103
36 3SHZ 5CO 5.64103
37 6BVK EAV 5.64103
38 6BVI EC4 5.64103
39 6BVL EBY 5.64103
40 6BVJ EAS 5.64103
41 4V1F BQ1 5.81395
42 1M48 FRG 6.01504
43 1J78 OLA 6.66667
44 1J78 VDY 6.66667
45 6MVU K4V 6.66667
46 3D9F FAD 6.66667
47 1RV1 IMZ 7.05882
48 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 7.17949
49 1YFS ALA 7.17949
50 3X01 AMP 7.17949
51 1R6N 434 7.69231
52 1OW4 2AN 7.75194
53 1Q7E MET 8.20513
54 5LX9 OLB 8.20513
55 3B6O TMP 8.20513
56 2BCG GER 8.20513
57 5C1M OLC 8.8
58 3E70 GDP 9.23077
59 2CST MAE 9.23077
60 5X80 SAL 9.375
61 5EW0 3C7 9.74359
62 3V66 D3A 10.2564
63 4F4S EFO 10.5263
64 5W7B MYR 10.6383
65 5OCA 9QZ 10.7692
66 4YSX E23 11.7949
67 4V2O CLQ 12.1951
68 3RET PYR 13.8614
69 3SQP 3J8 14.359
70 1MID LAP 17.5824
71 1SJD NPG 17.9487
72 4RW3 TDA 18.4615
73 5Y02 HBX 18.6916
74 3KB9 BTM 21.5385
75 4OGQ 7PH 23.0769
76 2D5X L35 23.2877
77 5W97 CHD 39.2857
78 5Z84 CHD 39.2857
79 5ZCO CHD 39.2857
APoc FAQ
Feedback