Receptor
PDB id Resolution Class Description Source Keywords
1DJW 2.45 Å EC: 3.1.4.11 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH INOSITOL-2-METHYLENE-1,2-CYCLIC- M ONOPHOSPHONATE RATTUS NORVEGICUS PHOSPHORIC DIESTER HYDROLASE HYDROLASE LIPID DEGRADATION TRANSDUCER CALCIUM-BINDING PHOSPHOLIPASE C PHOSPHOINOSITIDE-SPECIFIC
Ref.: STRUCTURAL MAPPING OF THE CATALYTIC MECHANISM FOR A MAMMALIAN PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C. BIOCHEMISTRY V. 36 1704 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:5;
B:5;
 Invalid;
Invalid;
 none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
CA A:2;
A:3;
A:4;
B:2;
B:3;
B:4;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
CIP A:1;
B:1;
 Valid;
Valid;
 none;
none;
 submit data
240.148 C7 H13 O7 P C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DJX 2.3 Å EC: 3.1.4.11 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH INOSITOL-1,4,5-TRISPHOSPHATE RATTUS NORVEGICUS PHOSPHORIC DIESTER HYDROLASE HYDROLASE LIPID DEGRADATION TRANSDUCER CALCIUM-BINDING PHOSPHOLIPASE C PHOSPHOINOSITIDE-SPECIFIC
Ref.: STRUCTURAL MAPPING OF THE CATALYTIC MECHANISM FOR A MAMMALIAN PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C. BIOCHEMISTRY V. 36 1704 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1DJX Kd = 1.7 uM I3P C6 H15 O15 P3 [C@H]1([C@....
2 1DJW - CIP C7 H13 O7 P C1[C@@H]2[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1DJX Kd = 1.7 uM I3P C6 H15 O15 P3 [C@H]1([C@....
2 1DJW - CIP C7 H13 O7 P C1[C@@H]2[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DJX Kd = 1.7 uM I3P C6 H15 O15 P3 [C@H]1([C@....
2 1DJW - CIP C7 H13 O7 P C1[C@@H]2[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CIP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CIP 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CIP; Similar ligands found: 175
No: Ligand Similarity coefficient
1 9FQ 0.9643
2 94E 0.9495
3 3RI 0.9345
4 NLA 0.9208
5 F34 0.9158
6 57O 0.9117
7 GLC 0.9114
8 MIG 0.9105
9 IAC 0.9101
10 GAL 0.9082
11 GLG 0.9078
12 B0D 0.9065
13 EMZ 0.9062
14 NGO 0.9057
15 S3B 0.9044
16 GTR 0.9043
17 GLA 0.9041
18 NBG 0.9040
19 15L 0.9040
20 M3Q 0.9038
21 JTH 0.9035
22 FA3 0.9029
23 OA3 0.9016
24 IBM 0.9009
25 BGC 0.9001
26 M3S 0.9000
27 327 0.8992
28 ADA 0.8990
29 LIP 0.8980
30 F52 0.8976
31 SBK 0.8975
32 2H5 0.8965
33 MAN 0.8962
34 NVU 0.8958
35 NGT 0.8951
36 GC3 0.8949
37 7D2 0.8948
38 G6P 0.8947
39 GDL 0.8944
40 AIN 0.8944
41 15N 0.8943
42 9PY 0.8942
43 QIC 0.8939
44 8S0 0.8938
45 PLP 0.8928
46 LTM 0.8920
47 9KH 0.8917
48 5FN 0.8917
49 5DI 0.8916
50 MQB 0.8913
51 2CL 0.8912
52 DQA 0.8906
53 NAG 0.8903
54 KG1 0.8899
55 G3F 0.8893
56 IPT 0.8892
57 2CZ 0.8891
58 8VR 0.8891
59 5WU 0.8891
60 BDP 0.8891
61 G1P 0.8890
62 61M 0.8890
63 NGW 0.8888
64 QMS 0.8883
65 ZON 0.8880
66 15A 0.8876
67 GCB 0.8876
68 HA7 0.8872
69 2FG 0.8863
70 CLU 0.8859
71 PRZ 0.8854
72 RPQ 0.8852
73 QM1 0.8849
74 MBG 0.8843
75 TNX 0.8839
76 1GN 0.8830
77 GC2 0.8824
78 CTS 0.8819
79 SOR 0.8813
80 NTZ 0.8811
81 MMA 0.8811
82 APS 0.8808
83 LGC 0.8807
84 FA6 0.8796
85 CFA 0.8789
86 790 0.8786
87 MFU 0.8782
88 EVA 0.8779
89 ZZZ 0.8777
90 UEG 0.8775
91 6DP 0.8774
92 I4D 0.8771
93 MVL 0.8771
94 GP1 0.8770
95 9BF 0.8766
96 HA5 0.8765
97 GCU 0.8764
98 HHT 0.8759
99 KBG 0.8756
100 BM3 0.8756
101 2L3 0.8755
102 NOJ 0.8752
103 GIV 0.8750
104 3IT 0.8750
105 1SS 0.8750
106 K2P 0.8747
107 B62 0.8745
108 AMG 0.8745
109 TEP 0.8741
110 GNL 0.8738
111 NSG 0.8738
112 HQ6 0.8737
113 149 0.8737
114 GCS 0.8736
115 GYP 0.8735
116 X1P 0.8734
117 3MG 0.8732
118 BDF 0.8731
119 HTP 0.8730
120 44V 0.8728
121 BNT 0.8720
122 CBF 0.8720
123 2LB 0.8718
124 PFB 0.8714
125 OMD 0.8711
126 289 0.8708
127 AFR 0.8704
128 JF1 0.8702
129 ICB 0.8700
130 IOP 0.8695
131 BMA 0.8695
132 293 0.8695
133 IFL 0.8694
134 ASO 0.8694
135 94B 0.8687
136 SHG 0.8685
137 SWA 0.8682
138 ASC 0.8673
139 LOG 0.8673
140 BEU 0.8672
141 JJQ 0.8669
142 SFU 0.8666
143 GIM 0.8662
144 INS 0.8660
145 GT0 0.8655
146 4NG 0.8654
147 GTZ 0.8652
148 TSR 0.8649
149 GLO 0.8647
150 BCU 0.8645
151 NGA 0.8643
152 SOE 0.8641
153 LCN 0.8628
154 FLC 0.8625
155 DTR 0.8620
156 4ME 0.8612
157 948 0.8611
158 MA3 0.8600
159 NZ9 0.8600
160 KED 0.8595
161 AEZ 0.8594
162 0LH 0.8591
163 IFG 0.8585
164 ZZ2 0.8584
165 GLF 0.8584
166 ISE 0.8583
167 T6Z 0.8582
168 FRU 0.8580
169 PXL 0.8576
170 MT5 0.8570
171 PA1 0.8568
172 TLM 0.8562
173 WOO 0.8546
174 ARW 0.8543
175 G2F 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DJX; Ligand: I3P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1djx.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1DJX; Ligand: I3P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1djx.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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