Receptor
PDB id Resolution Class Description Source Keywords
1UF7 1.9 Å EC: 3.5.1.77 CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D- AMINO ACID AMIDOHYDROLASE COMPLEXED WITH N-CARBAMYL-D- V ALINE AGROBACTERIUM SP. HYDROLASE N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE D-AMINO ACID N-CARBAMYL-D-VALINE
Ref.: CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CDV B:998;
B:999;
Valid;
Valid;
none;
none;
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160.171 C6 H12 N2 O3 CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UF5 1.6 Å EC: 3.5.1.77 CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D- AMINO ACID AMIDOHYDROLASE COMPLEXED WITH N-CARBAMYL-D- M ETHIONINE AGROBACTERIUM SP. HYDROLASE
Ref.: CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE TO BE PUBLISHED
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UF5 - CDT C6 H12 N2 O3 S CSCC[C@H](....
2 1UF7 - CDV C6 H12 N2 O3 CC(C)[C@H]....
3 1UF8 - ING C10 H12 N2 O3 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UF5 - CDT C6 H12 N2 O3 S CSCC[C@H](....
2 1UF7 - CDV C6 H12 N2 O3 CC(C)[C@H]....
3 1UF8 - ING C10 H12 N2 O3 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UF5 - CDT C6 H12 N2 O3 S CSCC[C@H](....
2 1UF7 - CDV C6 H12 N2 O3 CC(C)[C@H]....
3 1UF8 - ING C10 H12 N2 O3 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CDV; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CDV 1 1
2 UGC 0.518519 0.705882
3 VAL 0.407407 0.607143
4 URQ 0.40625 0.638889
Similar Ligands (3D)
Ligand no: 1; Ligand: CDV; Similar ligands found: 229
No: Ligand Similarity coefficient
1 N8P 0.9462
2 MLE 0.9426
3 2PG 0.9378
4 IPM 0.9343
5 SC2 0.9334
6 OEM 0.9328
7 TRA 0.9272
8 AN0 0.9272
9 XSP 0.9260
10 DCO 0.9250
11 NTM 0.9209
12 PHT 0.9204
13 NFQ 0.9200
14 SIF 0.9198
15 CRN 0.9154
16 ASP 0.9150
17 LEU 0.9144
18 ATH 0.9132
19 N7P 0.9127
20 V6F 0.9126
21 CIZ 0.9121
22 PRZ 0.9114
23 CIT 0.9112
24 NCD 0.9105
25 1AL 0.9101
26 GLY PRO 0.9097
27 MEV 0.9090
28 D1X 0.9084
29 ASN 0.9081
30 3AB 0.9072
31 CMS 0.9064
32 DOR 0.9062
33 AIN 0.9049
34 34D 0.9048
35 4WK 0.9043
36 ICT 0.9041
37 8EZ 0.9039
38 OAA 0.9038
39 FLC 0.9031
40 IP0 0.9030
41 IOM 0.9021
42 PEZ 0.9012
43 PZI 0.9000
44 NXA 0.9000
45 ICF 0.8999
46 COI 0.8993
47 FRU 0.8988
48 AKG 0.8987
49 TRC 0.8986
50 LMR 0.8984
51 VPR 0.8984
52 QM1 0.8983
53 2TQ 0.8979
54 DHK 0.8979
55 AHR 0.8978
56 LT8 0.8974
57 6JN 0.8972
58 2AL 0.8964
59 5RG 0.8963
60 BGC 0.8958
61 KLW 0.8952
62 6XI 0.8947
63 GTQ 0.8946
64 TZE 0.8946
65 IPZ 0.8941
66 BE2 0.8936
67 791 0.8935
68 CCB 0.8933
69 DAS 0.8932
70 JYD 0.8931
71 F12 0.8927
72 GLC 0.8925
73 MLT 0.8919
74 FPK 0.8919
75 MAN 0.8918
76 3SK 0.8917
77 PEP 0.8914
78 RIB 0.8910
79 40E 0.8904
80 GLN 0.8902
81 5AC 0.8899
82 P4B 0.8898
83 EKN 0.8896
84 SAL 0.8889
85 256 0.8889
86 ITN 0.8888
87 SF9 0.8880
88 2LP 0.8871
89 5HY 0.8866
90 LGC 0.8865
91 IT9 0.8861
92 3MV 0.8860
93 0V5 0.8860
94 JZ3 0.8858
95 APG 0.8857
96 1LN 0.8854
97 G2H 0.8846
98 NMJ 0.8844
99 51F 0.8844
100 ORN 0.8843
101 7N0 0.8842
102 FP1 0.8838
103 SKM 0.8837
104 6LW 0.8837
105 JKE 0.8836
106 G8M 0.8835
107 AUD 0.8827
108 NK 0.8826
109 GLU 0.8823
110 CDT 0.8822
111 SHA 0.8821
112 GAL 0.8821
113 GLY CYS 0.8820
114 3F0 0.8818
115 3HA 0.8818
116 8EW 0.8818
117 ASC 0.8816
118 3U4 0.8812
119 DII 0.8811
120 XAN 0.8811
121 9TZ 0.8810
122 G4D 0.8808
123 DBH 0.8806
124 NTC 0.8806
125 AOR 0.8800
126 DGL 0.8800
127 OHP 0.8799
128 293 0.8797
129 GV9 0.8795
130 4CS 0.8795
131 ENL 0.8794
132 DHS 0.8794
133 HIS 0.8790
134 AME 0.8784
135 KDF 0.8781
136 HSE 0.8781
137 FUB 0.8780
138 98J 0.8778
139 AVI 0.8775
140 PBE 0.8773
141 EVA 0.8773
142 261 0.8770
143 VNJ 0.8768
144 6CS 0.8764
145 BDP 0.8763
146 2DR 0.8762
147 RNT 0.8762
148 ES6 0.8760
149 2MN 0.8756
150 GCB 0.8752
151 Q6T 0.8751
152 DPF 0.8750
153 3SL 0.8749
154 FBV 0.8748
155 AKH 0.8747
156 GLY LEU 0.8746
157 GUN 0.8746
158 32O 0.8743
159 60Q 0.8742
160 SRT 0.8741
161 SPV 0.8740
162 AS3 0.8740
163 FA3 0.8739
164 P22 0.8734
165 GDE 0.8726
166 3M0 0.8726
167 KOJ 0.8722
168 GAG 0.8712
169 JZ4 0.8710
170 3PG 0.8706
171 53C 0.8704
172 T9G 0.8692
173 2H5 0.8690
174 R2B 0.8690
175 3AL 0.8689
176 54G 0.8689
177 210 0.8689
178 GTR 0.8686
179 7A2 0.8682
180 GCU 0.8673
181 1GN 0.8672
182 PRY 0.8672
183 12M 0.8670
184 KP6 0.8669
185 2EH 0.8667
186 MZB 0.8666
187 KTA 0.8665
188 KYD 0.8664
189 SHG 0.8664
190 5M0 0.8663
191 RNS 0.8662
192 LNO 0.8657
193 GIV 0.8656
194 EV0 0.8655
195 42C 0.8654
196 1WD 0.8652
197 OMD 0.8647
198 2XX 0.8635
199 9ON 0.8629
200 XX3 0.8624
201 ISD 0.8621
202 1AB 0.8618
203 S76 0.8618
204 4SV 0.8617
205 BSX 0.8613
206 GOG 0.8612
207 QIC 0.8611
208 5MK 0.8604
209 7A3 0.8603
210 60P 0.8602
211 GBD 0.8597
212 XQB 0.8592
213 HHT 0.8585
214 DIG 0.8584
215 9TY 0.8580
216 3C7 0.8572
217 2FG 0.8568
218 GXL 0.8562
219 3DO 0.8561
220 PPK 0.8559
221 1P3 0.8552
222 289 0.8542
223 QAS 0.8541
224 OXQ 0.8537
225 149 0.8533
226 GRO 0.8532
227 SX1 0.8529
228 141 0.8520
229 TEO 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UF5; Ligand: CDT; 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: 1uf5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1UF5; Ligand: CDT; 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: 1uf5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UF5; Ligand: CDT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1uf5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1UF5; Ligand: CDT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1uf5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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