Receptor
PDB id Resolution Class Description Source Keywords
1UHK 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF N-AEQUORIN AEQUOREA VICTORIA 4 EF-HAND MOTIF COMPLEX LUMINESCENT PROTEIN
Ref.: THE CRYSTAL STRUCTURES OF SEMI-SYNTHETIC AEQUORINS PROTEIN SCI. V. 14 409 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CZN A:1001;
B:2001;
Valid;
Valid;
none;
none;
submit data
491.537 C30 H25 N3 O4 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UHK 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF N-AEQUORIN AEQUOREA VICTORIA 4 EF-HAND MOTIF COMPLEX LUMINESCENT PROTEIN
Ref.: THE CRYSTAL STRUCTURES OF SEMI-SYNTHETIC AEQUORINS PROTEIN SCI. V. 14 409 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1UHH - CZP C25 H27 N3 O5 c1cc(ccc1C....
2 1UHJ - CZB C26 H22 Br N3 O4 c1ccc(cc1)....
3 1UHK - CZN C30 H25 N3 O4 c1ccc(cc1)....
4 1EJ3 - CZH C26 H21 N3 O5 c1ccc(cc1)....
70% Homology Family (15)
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 1UHJ - CZB C26 H22 Br N3 O4 c1ccc(cc1)....
3 1UHK - CZN C30 H25 N3 O4 c1ccc(cc1)....
4 1EJ3 - CZH C26 H21 N3 O5 c1ccc(cc1)....
5 3KPX - CZH C26 H21 N3 O5 c1ccc(cc1)....
6 1JF0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
7 1JF2 - CZH C26 H21 N3 O5 c1ccc(cc1)....
8 4N1F - CZH C26 H21 N3 O5 c1ccc(cc1)....
9 1EL4 - CTZ C26 H21 N3 O4 c1ccc(cc1)....
10 2F8P - CEI C25 H21 N3 O3 c1ccc(cc1)....
11 1QV0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
12 4N1G - CEI C25 H21 N3 O3 c1ccc(cc1)....
13 1QV1 - CZH C26 H21 N3 O5 c1ccc(cc1)....
14 1S36 - CEI C25 H21 N3 O3 c1ccc(cc1)....
15 1SL9 - CZH C26 H21 N3 O5 c1ccc(cc1)....
50% Homology Family (15)
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 1UHJ - CZB C26 H22 Br N3 O4 c1ccc(cc1)....
3 1UHK - CZN C30 H25 N3 O4 c1ccc(cc1)....
4 1EJ3 - CZH C26 H21 N3 O5 c1ccc(cc1)....
5 3KPX - CZH C26 H21 N3 O5 c1ccc(cc1)....
6 1JF0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
7 1JF2 - CZH C26 H21 N3 O5 c1ccc(cc1)....
8 4N1F - CZH C26 H21 N3 O5 c1ccc(cc1)....
9 1EL4 - CTZ C26 H21 N3 O4 c1ccc(cc1)....
10 2F8P - CEI C25 H21 N3 O3 c1ccc(cc1)....
11 1QV0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
12 4N1G - CEI C25 H21 N3 O3 c1ccc(cc1)....
13 1QV1 - CZH C26 H21 N3 O5 c1ccc(cc1)....
14 1S36 - CEI C25 H21 N3 O3 c1ccc(cc1)....
15 1SL9 - CZH C26 H21 N3 O5 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CZN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CZN 1 1
2 CZB 0.715789 0.939394
3 CZP 0.495327 0.925373
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UHK; Ligand: CZN; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 1uhk.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4S EFO 0.03582 0.40284 None
2 3UU7 2OH 0.02156 0.41455 2.6178
3 1NF8 BOG 0.007584 0.44867 3.14136
4 1AUA BOG 0.03195 0.40549 3.66492
5 1NSA BEN 0.01041 0.41385 4.18848
6 3VRV YSD 0.01115 0.40361 4.71204
7 4NAE 1GP 0.02192 0.41614 5.2356
8 1TV5 N8E 0.001946 0.48561 5.75916
9 4R29 SAM 0.02614 0.40602 8.90052
10 1QFT HSM 0.008164 0.41208 9.14286
11 4ZOM 4Q3 0.01999 0.40671 9.94764
12 4MNS 2AX 0.003975 0.42248 11.3208
13 2VWA PTY 0.04902 0.40072 11.8812
14 3RV5 DXC 0.03015 0.42719 12.3596
15 3V66 D3A 0.006335 0.40745 13.6126
16 1J78 OLA 0.0006941 0.47015 18.3246
17 1J78 VDY 0.004233 0.44665 18.3246
Pocket No.: 2; Query (leader) PDB : 1UHK; Ligand: CZN; Similar sites found: 1
This union binding pocket(no: 2) in the query (biounit: 1uhk.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3UUA 0CZ 0.01065 0.41245 2.6178
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