Receptor
PDB id Resolution Class Description Source Keywords
1OJ1 2.1 Å EC: 3.-.-.- NONPRODUCTIVE AND NOVEL BINDING MODES IN CYTOTOXIC RIBONUCLE RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED WITH (A ND D(APCPGPA) RANA CATESBEIANA CYTOTOXIC RIBONUCLEASES ANTI-TUMOR ACTIVITY SIALIC BINDINGNUCLEOTIDE BINDING HYDROLASE
Ref.: NONPRODUCTIVE AND NOVEL BINDING MODES IN CYTOTOXIC RIBONUCLEASES FROM RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED WITH C(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
CG2 A:1106;
 Valid;
 none;
 submit data
588.422 C19 H25 N8 O12 P c1nc2...
SO4 A:1107;
 Invalid;
 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 FRO CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED WITH D(APCP( 2',5'CPG) RANA CATESBEIANA CYTOTOXIC RIBONUCLEASES ANTI-TUMOR ACTIVITY SIALIC BINDINGNUCLEOTIDE BINDING HYDROLASE
Ref.: RETRO AND NOVEL BINDING MODES IN CYTOTOXIC RIBONUCL FROM RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COM 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 312 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 261 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 2 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 (2D)
Ligand no: 1; Ligand: CG2; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 CG2 1 1
2 U2G 0.8 1
3 GPG 0.71028 0.95
4 GPC 0.68595 0.939759
5 G C 0.634146 0.9625
6 GDP 0.622642 0.936709
7 GNH 0.616822 0.925
8 GP3 0.613208 0.9375
9 GSP 0.609091 0.891566
10 G 0.605769 0.924051
11 5GP 0.605769 0.924051
12 GTP 0.605505 0.936709
13 GMV 0.590909 0.91358
14 G1R 0.585586 0.925
15 GCP 0.585586 0.91358
16 GDC 0.584746 0.95
17 GDD 0.584746 0.95
18 GKE 0.584746 0.95
19 GNP 0.580357 0.91358
20 9GM 0.580357 0.91358
21 GAV 0.570175 0.902439
22 G2R 0.568965 0.902439
23 GP2 0.563636 0.902439
24 GKD 0.552846 0.95
25 G2P 0.552632 0.902439
26 6CK 0.54918 0.903614
27 GDP BEF 0.54386 0.878049
28 UPA 0.543307 0.925
29 G4P 0.543103 0.924051
30 GTG 0.540984 0.903614
31 GDR 0.540984 0.925926
32 GFB 0.540984 0.925926
33 JB2 0.540323 0.925926
34 0O2 0.537815 0.924051
35 YGP 0.53719 0.915663
36 G3A 0.536585 0.9375
37 ALF 5GP 0.535088 0.837209
38 Y9Z 0.532787 0.872093
39 G5P 0.532258 0.9375
40 GMP 0.529412 0.848101
41 G3D 0.525862 0.924051
42 GTP MG 0.525862 0.9
43 GDX 0.52381 0.9375
44 GPD 0.52381 0.892857
45 NGD 0.523077 0.925926
46 ZGP 0.519084 0.840909
47 UCG 0.517986 0.95
48 JB3 0.515385 0.914634
49 CGP 0.515152 0.927711
50 2GP 0.513761 0.924051
51 FEG 0.51145 0.850575
52 TPG 0.510791 0.855556
53 GDP AF3 0.508333 0.837209
54 GDP ALF 0.508333 0.837209
55 OMC OMU OMG OMG U 0.506757 0.904762
56 3GP 0.5 0.911392
57 KB7 0.491379 0.8
58 C2P 0.490385 0.860759
59 FE9 0.489209 0.791667
60 GDP 7MG 0.484375 0.879518
61 MGD 0.478261 0.905882
62 CAG 0.478261 0.852273
63 2MD 0.477941 0.905882
64 PGD 0.475177 0.915663
65 G 5MC C U 0.47205 0.927711
66 DBG 0.468531 0.914634
67 MD1 0.464789 0.905882
68 KBD 0.452381 0.821429
69 G1G 0.450704 0.892857
70 GPX 0.44 0.8875
71 KBJ 0.438462 0.793103
72 G4M 0.437909 0.873563
73 I2C FE2 CMO CMO 0.4375 0.824176
74 P2G 0.42735 0.851852
75 AKW 0.42446 0.860465
76 BGO 0.42446 0.891566
77 GH3 0.424 0.9125
78 DGI 0.421488 0.86747
79 CDP 0.421053 0.873418
80 P1G 0.420168 0.841463
81 DGT 0.419355 0.86747
82 CSV 0.415385 0.841463
83 CSQ 0.415385 0.841463
84 91P 0.414286 0.951219
85 C5G 0.412698 0.875
86 M7G A2M G 0.411765 0.824176
87 CTP 0.410256 0.873418
88 HF4 0.410256 0.873418
89 G1R G1R 0.409396 0.891566
90 7XL 0.408333 0.851852
91 DG 0.40678 0.855422
92 DGP 0.40678 0.855422
93 PGD O 0.406667 0.865169
94 GGM 0.405594 0.870588
95 IDP 0.404959 0.911392
96 CDM 0.404762 0.811765
97 LRM 0.404255 0.906977
Similar Ligands (3D)
Ligand no: 1; Ligand: CG2; 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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