Receptor
PDB id Resolution Class Description Source Keywords
1OJ8 1.7 Å EC: 3.-.-.- NOVEL AND RETRO BINDING MODES IN CYTOTOXIC RIBONUCLEASES FROM RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED W ITH D(APCPGPA) AND (2',5'CPG) RANA CATESBEIANA CYTOTOXIC RIBONUCLEASES ANTI-TUMOR ACTIVITY SIALIC BINDING AND NUCLEOTIDE BINDING HYDROLASE
Ref.: RETRO AND NOVEL BINDING MODES IN CYTOTOXIC RIBONUCLEASES FROM RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED WITH (2',5'CPG) AND D(APCPGPA) TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DA DC DG DA B:301;
Valid;
none;
submit data
1179.82 n/a [P+](...
SO4 A:201;
A:202;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OJ8 1.7 Å EC: 3.-.-.- NOVEL AND RETRO BINDING MODES IN CYTOTOXIC RIBONUCLEASES FROM RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED W ITH D(APCPGPA) AND (2',5'CPG) RANA CATESBEIANA CYTOTOXIC RIBONUCLEASES ANTI-TUMOR ACTIVITY SIALIC BINDING AND NUCLEOTIDE BINDING HYDROLASE
Ref.: RETRO AND NOVEL BINDING MODES IN CYTOTOXIC RIBONUCLEASES FROM RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED WITH (2',5'CPG) AND D(APCPGPA) TO BE PUBLISHED
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1OJ8 - DA DC DG DA n/a n/a
2 1OJ1 - CG2 C19 H25 N8 O12 P c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 1OJ8 - DA DC DG DA n/a n/a
2 1OJ1 - CG2 C19 H25 N8 O12 P c1nc2c(n1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OJ8 - DA DC DG DA n/a n/a
2 1OJ1 - CG2 C19 H25 N8 O12 P c1nc2c(n1[....
3 2I5S - DA DU DG DA n/a n/a
4 2GMK Ki = 590 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DA DC DG DA; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 DA DC DG DA 1 1
2 DG DA DC DG 0.992248 1
3 DC DG DA DC 0.826087 0.97561
4 DC DG DT DA 0.824324 0.952941
5 DT DA DC DG 0.817568 0.952941
6 DC DG 0.742424 0.987805
7 DA DT DA DA 0.673611 0.894118
8 DG DC 0.659722 0.951807
9 DG DG 0.643411 0.963415
10 CGP 0.624114 0.963855
11 3PD UM3 0.605634 0.963415
12 CPA 0.595745 0.927711
13 DU DU DU DU BRU DA DU 0.583333 0.873563
14 DU DU DU DU BRU DG DU 0.583333 0.931035
15 DG DT DC 0.578947 0.94186
16 DA DU DG DA 0.48366 0.905882
17 DGP 0.466165 0.891566
18 DG 0.466165 0.891566
19 DGI 0.456522 0.880952
20 G C 0.455696 0.927711
21 A G U 0.453488 0.939759
22 G A A A 0.45283 0.903614
23 U G A 0.450867 0.939759
24 G G G RPC 0.446541 0.926829
25 U A G G 0.440994 0.891566
26 APC G U 0.435583 0.891566
27 DGT 0.433566 0.880952
28 G G G C 0.430303 0.916667
29 DA 0.428571 0.819277
30 D5M 0.428571 0.819277
31 A G C C 0.427711 0.915663
32 DAT 0.427536 0.821429
33 DC DC DT DG 0.423841 0.788235
34 G C C C 0.417647 0.904762
35 DT MA7 DT 0.416185 0.873563
36 AS 0.414815 0.781609
37 PAX 0.411765 0.883721
38 101 0.410448 0.819277
39 A U C C 0.405714 0.903614
40 DTP 0.405594 0.821429
41 U A C C 0.401198 0.891566
Similar Binding Sites (Proteins are less than 50% similar to leader)
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