Receptor
PDB id Resolution Class Description Source Keywords
3if7 1.6 Å NON-ENZYME: BINDING STRUCTURE OF CALMODULIN COMPLEXED WITH ITS FIRST ENDOGENOUS SPHINGOSYLPHOSPHORYLCHOLINE BOS TAURUS EF-HAND PHOSPHOLIPID CALCIUM BINDING PROTEIN ISOPEPTIDE BMETHYLATION PHOSPHOPROTEIN
Ref.: STRUCTURE AND MECHANISM OF CALMODULIN BINDING TO A SPHINGOLIPID REVEAL NEW ASPECTS OF LIPID-PROTEIN INTERACTIONS FASEB J. V. 24 3829 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:149;
A:150;
A:151;
A:152;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
SPU A:153;
A:154;
A:155;
A:156;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 61 nM
465.627 C23 H50 N2 O5 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L7Z 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CA2+/CALMODULIN COMPLEXED WITH MYRISTOYLATED CAP-23/NAP-22 PEPTIDE HOMO SAPIENS CALMODULIN MYRISTOYLATION PROTEIN-PROTEIN INTERACTION RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS METAL BINDING PROTEIN/PROTEIN BINDING COMPLEX
Ref.: CRYSTAL STRUCTURE OF A MYRISTOYLATED CAP-23/NAP-22 N-TERMINAL DOMAIN COMPLEXED WITH CA2+/CALMODULIN EMBO J. V. 23 712 2004
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3IF7 Kd = 61 nM SPU C23 H50 N2 O5 P CCCCCCCCCC....
2 1QIW Kd = 18 nM DPD C34 H48 N2 O2 CCCCOc1ccc....
3 1LIN - TFP C21 H24 F3 N3 S CN1CCN(CC1....
4 1L7Z Kd = 3 nM GLY GLY LYS LEU SER LYS LYS LYS LYS MYR n/a n/a
5 6OS4 - 5U0 C19 H33 N O2 S CC(=CCC/C(....
6 1CTR - TFP C21 H24 F3 N3 S CN1CCN(CC1....
7 1XA5 Kd = 316 nM KAR C46 H56 Cl N5 O7 CC[C@@]1(C....
8 6O5G Kd = 2 uM LMJ C21 H23 Br Cl N3 O CC1(c2c(c3....
9 6EEB Kd = 5 uM J6P C21 H23 Cl2 N3 O CC1(c2c(c3....
10 6M7H - KN9 C26 H29 Cl N2 O4 S CN(C/C=C/c....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3IF7 Kd = 61 nM SPU C23 H50 N2 O5 P CCCCCCCCCC....
2 1QIW Kd = 18 nM DPD C34 H48 N2 O2 CCCCOc1ccc....
3 1LIN - TFP C21 H24 F3 N3 S CN1CCN(CC1....
4 1L7Z Kd = 3 nM GLY GLY LYS LEU SER LYS LYS LYS LYS MYR n/a n/a
5 6OS4 - 5U0 C19 H33 N O2 S CC(=CCC/C(....
6 1CTR - TFP C21 H24 F3 N3 S CN1CCN(CC1....
7 1XA5 Kd = 316 nM KAR C46 H56 Cl N5 O7 CC[C@@]1(C....
8 6O5G Kd = 2 uM LMJ C21 H23 Br Cl N3 O CC1(c2c(c3....
9 6EEB Kd = 5 uM J6P C21 H23 Cl2 N3 O CC1(c2c(c3....
10 6M7H - KN9 C26 H29 Cl N2 O4 S CN(C/C=C/c....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1DTL - BEP C24 H34 N2 O CC(C)COC[C....
2 3IF7 Kd = 61 nM SPU C23 H50 N2 O5 P CCCCCCCCCC....
3 1QIW Kd = 18 nM DPD C34 H48 N2 O2 CCCCOc1ccc....
4 1LIN - TFP C21 H24 F3 N3 S CN1CCN(CC1....
5 1L7Z Kd = 3 nM GLY GLY LYS LEU SER LYS LYS LYS LYS MYR n/a n/a
6 6OS4 - 5U0 C19 H33 N O2 S CC(=CCC/C(....
7 1CTR - TFP C21 H24 F3 N3 S CN1CCN(CC1....
8 1XA5 Kd = 316 nM KAR C46 H56 Cl N5 O7 CC[C@@]1(C....
9 6O5G Kd = 2 uM LMJ C21 H23 Br Cl N3 O CC1(c2c(c3....
10 6EEB Kd = 5 uM J6P C21 H23 Cl2 N3 O CC1(c2c(c3....
11 6M7H - KN9 C26 H29 Cl N2 O4 S CN(C/C=C/c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SPU; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 SPU 1 1
2 S1P 0.65625 0.775862
3 3XU 0.590361 0.903226
4 42H 0.54321 0.852459
5 LPE 0.5 0.87931
6 PCW 0.5 0.819672
7 PQJ 0.492308 0.824561
8 LPC 0.487179 0.836066
9 K6G 0.487179 0.836066
10 LAP 0.487179 0.836066
11 LP3 0.487179 0.836066
12 FO4 0.466667 0.903226
13 PSC 0.462366 0.819672
14 HGP 0.445783 0.803279
15 PLD 0.445783 0.803279
16 HGX 0.445783 0.803279
17 PC7 0.445783 0.803279
18 PX4 0.445783 0.803279
19 6PL 0.445783 0.803279
20 LIO 0.445783 0.803279
21 CH5 0.424242 0.79661
22 XP5 0.421687 0.803279
23 OPC 0.419355 0.806452
24 1PW 0.4125 0.714286
25 LOP 0.4 0.758065
26 6OU 0.4 0.758065
27 L9Q 0.4 0.758065
Similar Ligands (3D)
Ligand no: 1; Ligand: SPU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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