Receptor
PDB id Resolution Class Description Source Keywords
6o0q 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TIR DOMAIN FROM HUMAN SARM1 IN COMP RIBOSE HOMO SAPIENS AXON DEGENERATION SIGNALING PROTEIN
Ref.: NAD+CLEAVAGE ACTIVITY BY ANIMAL AND PLANT TIR DOMAI CELL DEATH PATHWAYS. SCIENCE V. 365 793 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:802;
B:802;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
BDR A:801;
B:801;
 Valid;
Valid;
 none;
none;
 submit data
150.13 C5 H10 O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6O0Q 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TIR DOMAIN FROM HUMAN SARM1 IN COMP RIBOSE HOMO SAPIENS AXON DEGENERATION SIGNALING PROTEIN
Ref.: NAD+CLEAVAGE ACTIVITY BY ANIMAL AND PLANT TIR DOMAI CELL DEATH PATHWAYS. SCIENCE V. 365 793 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6O0Q - BDR C5 H10 O5 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6O0Q - BDR C5 H10 O5 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6O0Q - BDR C5 H10 O5 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BDR; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 Z6J 1 1
2 RIB 1 1
3 AHR 1 1
4 32O 1 1
5 BDR 1 1
6 FUB 1 1
7 BMA 0.653846 0.866667
8 MAN 0.653846 0.866667
9 WOO 0.653846 0.866667
10 GAL 0.653846 0.866667
11 GIV 0.653846 0.866667
12 BGC 0.653846 0.866667
13 BGC GAL 0.653846 0.866667
14 GLC 0.653846 0.866667
15 GLC GLC 0.653846 0.866667
16 GLA 0.653846 0.866667
17 GXL 0.653846 0.866667
18 ALL 0.653846 0.866667
19 GAL GAL 0.653846 0.866667
20 AHR AHR 0.486486 0.875
21 G2F 0.483871 0.764706
22 2FG 0.483871 0.764706
23 PA1 0.483871 0.684211
24 SHG 0.483871 0.764706
25 2H5 0.483871 0.764706
26 GAF 0.483871 0.764706
27 X6X 0.483871 0.684211
28 95Z 0.483871 0.684211
29 GCS 0.483871 0.684211
30 G3F 0.483871 0.764706
31 1GN 0.483871 0.684211
32 3MG 0.46875 0.764706
33 ZB1 0.46875 0.764706
34 SR1 0.466667 0.764706
35 2GS 0.454545 0.764706
36 AHR AHR AHR AHR 0.45 0.875
37 AHR AHR AHR AHR AHR AHR 0.45 0.875
38 AHR AHR AHR AHR AHR 0.45 0.875
39 AHR FUB 0.444444 0.875
40 HSX 0.441176 0.675
41 ABF 0.441176 0.675
42 RP5 0.441176 0.675
43 YIO 0.419355 0.757576
44 GLF 0.40625 0.735294
45 ALX 0.405405 0.619048
46 BNX 0.405405 0.619048
47 GAL GLA 0.404762 0.742857
48 MAN BMA BMA BMA BMA BMA BMA 0.4 0.742857
49 ASO 0.4 0.757576
50 GLC GLC GLC GLC BGC GLC GLC 0.4 0.742857
51 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.742857
52 BGC BGC 0.4 0.757576
Similar Ligands (3D)
Ligand no: 1; Ligand: BDR; Similar ligands found: 260
No: Ligand Similarity coefficient
1 R1X 0.9717
2 R2B 0.9632
3 2XX 0.9625
4 IMR 0.9609
5 XYP 0.9545
6 RIP 0.9471
7 AZF 0.9430
8 RUU 0.9425
9 HPY 0.9422
10 XYS 0.9386
11 EDG 0.9361
12 8EZ 0.9346
13 PSV 0.9330
14 MLT 0.9318
15 6LW 0.9306
16 R8A 0.9280
17 LRH 0.9273
18 2DR 0.9272
19 CAM 0.9270
20 FPY 0.9270
21 FUL 0.9267
22 SEJ 0.9261
23 JZ3 0.9258
24 64K 0.9256
25 0MK 0.9251
26 IFM 0.9235
27 ASC 0.9226
28 FPK 0.9225
29 3ZQ 0.9223
30 OAA 0.9222
31 DIG 0.9212
32 QFH 0.9209
33 TMH 0.9199
34 ABE 0.9196
35 IFL 0.9196
36 1AB 0.9195
37 CAH 0.9191
38 PAV 0.9190
39 34V 0.9188
40 NCM 0.9187
41 23B 0.9182
42 NOJ 0.9177
43 4DX 0.9176
44 280 0.9170
45 EXO 0.9169
46 RAM 0.9168
47 DFU 0.9164
48 AGK 0.9164
49 6HQ 0.9163
50 GYE 0.9160
51 YHO 0.9158
52 LDU 0.9138
53 ARB 0.9137
54 CRN 0.9135
55 PCA 0.9134
56 51F 0.9133
57 YTB 0.9125
58 RNS 0.9117
59 VAH 0.9108
60 NEQ 0.9105
61 SVJ 0.9103
62 4PW 0.9102
63 WTZ 0.9099
64 GIF 0.9099
65 DMJ 0.9099
66 TAR 0.9095
67 RSF 0.9093
68 TCM 0.9089
69 HSE 0.9087
70 TLA 0.9086
71 FUF 0.9080
72 ASP 0.9071
73 ASN 0.9070
74 ARW 0.9069
75 CNL 0.9067
76 IOM 0.9054
77 HY3 0.9053
78 ISD 0.9053
79 BDF 0.9048
80 MFU 0.9047
81 286 0.9045
82 DGJ 0.9027
83 3XX 0.9024
84 278 0.9023
85 XLS 0.9022
86 DAS 0.9022
87 XUL 0.9020
88 PTO 0.9018
89 40O 0.9017
90 HCS 0.9017
91 FUC 0.9014
92 LFR 0.9011
93 1LN 0.9009
94 OEM 0.9007
95 N8P 0.9006
96 192 0.9005
97 ARA 0.9005
98 FRU 0.9005
99 DTL 0.9000
100 7N0 0.8997
101 3DY 0.8987
102 4CS 0.8987
103 BEW 0.8987
104 2BN 0.8984
105 SC2 0.8984
106 CAQ 0.8981
107 TNE 0.8981
108 285 0.8977
109 LMR 0.8974
110 AC5 0.8972
111 OXZ 0.8971
112 RP7 0.8970
113 HZP 0.8969
114 261 0.8969
115 PRS 0.8967
116 4XR 0.8965
117 NVA 0.8962
118 UYA 0.8961
119 FCB 0.8959
120 XXR 0.8958
121 CAE 0.8956
122 FP1 0.8954
123 ADO 0.8953
124 3DO 0.8952
125 PRI 0.8948
126 H76 0.8945
127 RM4 0.8944
128 3RK 0.8936
129 APY 0.8935
130 H3M 0.8929
131 FCA 0.8929
132 149 0.8928
133 HYA 0.8926
134 THR 0.8924
135 ADM 0.8921
136 6CS 0.8921
137 TFB 0.8920
138 BAE 0.8919
139 PRZ 0.8919
140 SF9 0.8919
141 3SY 0.8916
142 THE 0.8912
143 LGC 0.8910
144 AMC 0.8910
145 SF6 0.8901
146 2LP 0.8899
147 LER 0.8899
148 GLL 0.8898
149 PBE 0.8896
150 YCP 0.8895
151 PAF 0.8895
152 JZ1 0.8893
153 SNE 0.8892
154 9TY 0.8888
155 LXC 0.8882
156 DAB 0.8881
157 ILE 0.8880
158 DOR 0.8880
159 HYP 0.8879
160 VAL 0.8875
161 308 0.8870
162 ICN 0.8865
163 MRY 0.8860
164 2RA 0.8858
165 DGY 0.8857
166 3V4 0.8856
167 PRO 0.8854
168 FLA 0.8854
169 ITN 0.8854
170 DZX 0.8853
171 LCN 0.8848
172 TZE 0.8846
173 ALO 0.8843
174 TZZ 0.8843
175 CIZ 0.8841
176 BSX 0.8840
177 SER 0.8840
178 CAX 0.8838
179 CYS 0.8835
180 ROR 0.8834
181 RBL 0.8830
182 8S0 0.8829
183 L3Q 0.8824
184 DSN 0.8820
185 5DI 0.8813
186 CGB 0.8812
187 ECE 0.8809
188 KIV 0.8804
189 NXA 0.8804
190 FAC 0.8802
191 GOO 0.8802
192 SRT 0.8801
193 I2M 0.8800
194 KPL 0.8798
195 DPR 0.8797
196 7A8 0.8793
197 12M 0.8780
198 C2N 0.8779
199 03W 0.8774
200 MUC 0.8767
201 KSW 0.8763
202 G4D 0.8760
203 CXL 0.8757
204 7EX 0.8755
205 IF7 0.8755
206 DHS 0.8754
207 AHB 0.8748
208 94B 0.8743
209 4JU 0.8743
210 2MH 0.8743
211 RB0 0.8736
212 DMV 0.8729
213 AKB 0.8728
214 IT9 0.8726
215 HUI 0.8725
216 SOE 0.8720
217 HAI 0.8717
218 ORN 0.8716
219 4RW 0.8716
220 4AX 0.8714
221 HIU 0.8714
222 98J 0.8712
223 FDK 0.8712
224 ICC 0.8711
225 FP2 0.8709
226 1AC 0.8699
227 DCY 0.8698
228 MFB 0.8697
229 4XX 0.8696
230 69O 0.8695
231 CYH 0.8685
232 3OC 0.8684
233 ICF 0.8684
234 L89 0.8681
235 76X 0.8680
236 3PY 0.8674
237 TAY 0.8674
238 BFM 0.8670
239 GG6 0.8670
240 23W 0.8669
241 IQ0 0.8668
242 8LG 0.8666
243 KBG 0.8657
244 92Z 0.8656
245 HSL 0.8654
246 FH2 0.8653
247 1AN 0.8647
248 JZ7 0.8641
249 6KX 0.8633
250 XYL 0.8632
251 RB5 0.8632
252 FX1 0.8624
253 EHM 0.8618
254 NK2 0.8613
255 B0D 0.8613
256 CMS 0.8611
257 HLT 0.8602
258 AFR 0.8593
259 QDK 0.8554
260 NOY 0.8503
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6O0Q; Ligand: BDR; 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: 6o0q.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6O0Q; Ligand: BDR; 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: 6o0q.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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