Receptor
PDB id Resolution Class Description Source Keywords
1UF8 1.8 Å EC: 3.5.1.77 CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D- AMINO ACID AMIDOHYDROLASE COMPLEXED WITH N-CARBAMYL-D- P HENYLALANINE AGROBACTERIUM SP. HYDROLASE N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE D-AMINO ACID N-CARBAMYL-D-PHENYLALANINE
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
ING A:999;
B:1999;
 Valid;
Valid;
 none;
none;
 submit data
208.214 C10 H12 N2 O3 c1ccc...
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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: ING; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 ING 1 1
2 INF 0.659091 0.761905
3 LHY 0.659091 0.761905
4 CXA 0.6 0.632653
5 S23 0.534483 0.604167
6 PH0 0.516667 0.604167
7 0PQ 0.516667 0.604167
8 PHE 0.511628 0.666667
9 DPN 0.511628 0.666667
10 BWX 0.5 0.609756
11 ALA PHE 0.461538 0.675676
12 TI2 0.453125 0.613636
13 OIR 0.45 0.658537
14 BES 0.433333 0.636364
15 NFA 0.431818 0.6
16 ASP PHE 0.428571 0.666667
17 KAF 0.426471 0.659091
18 HPI 0.424242 0.674419
19 RDM 0.423077 0.702703
20 BD5 0.42029 0.608696
21 3NF 0.411765 0.609756
Similar Ligands (3D)
Ligand no: 1; Ligand: ING; Similar ligands found: 141
No: Ligand Similarity coefficient
1 BZS 0.9700
2 JGM 0.9598
3 23N 0.9568
4 ACE PHE 0.9508
5 GLY PHE 0.9469
6 CPM 0.9447
7 2B4 0.9408
8 GLY TYR 0.9258
9 7QD 0.9222
10 AVO 0.9213
11 7UZ 0.9178
12 2E5 0.9159
13 7ZL 0.9146
14 0OO 0.9129
15 C53 0.9103
16 T2D 0.9087
17 0A9 0.9059
18 RIS 0.9057
19 NLG 0.9056
20 DY8 0.9055
21 9PL 0.9035
22 848 0.9032
23 HHV 0.9032
24 9W5 0.9002
25 2E4 0.8993
26 6C5 0.8978
27 3IP 0.8975
28 6MW 0.8974
29 HLP 0.8973
30 BZM 0.8962
31 1BY 0.8961
32 1KM 0.8960
33 KWB 0.8952
34 AVJ 0.8952
35 EXG 0.8949
36 TYR 0.8948
37 CU0 0.8931
38 FPL 0.8931
39 AVI 0.8926
40 DNB 0.8925
41 6FR 0.8917
42 C0H 0.8913
43 TZM 0.8912
44 IC9 0.8909
45 F63 0.8885
46 1ZC 0.8883
47 9B3 0.8883
48 HCA 0.8878
49 LVP 0.8870
50 TH4 0.8861
51 PIR 0.8858
52 MJ5 0.8842
53 7R4 0.8838
54 9VQ 0.8838
55 SQY 0.8834
56 MS8 0.8834
57 F16 0.8833
58 HJ7 0.8825
59 LZ5 0.8822
60 ENO 0.8814
61 DTY 0.8814
62 CH8 0.8811
63 M02 0.8799
64 DCZ 0.8796
65 PF1 0.8785
66 NI9 0.8783
67 N1Y 0.8779
68 D2G 0.8779
69 3CR 0.8778
70 SLY 0.8772
71 NK5 0.8769
72 0NX 0.8765
73 2J5 0.8764
74 R9V 0.8749
75 EBP 0.8748
76 D1G 0.8744
77 BDJ 0.8741
78 HF2 0.8741
79 LR2 0.8733
80 KLS 0.8732
81 HO6 0.8727
82 HNK 0.8727
83 7VY 0.8726
84 VJJ 0.8725
85 3Y7 0.8718
86 5LD 0.8717
87 BSA 0.8714
88 QUS 0.8712
89 IQ5 0.8703
90 381 0.8702
91 DG2 0.8702
92 KPV 0.8700
93 TIA 0.8700
94 IPO 0.8697
95 DMA 0.8696
96 2UB 0.8692
97 VAL VAL 0.8691
98 ASP SER 0.8689
99 WCU 0.8681
100 URI 0.8670
101 DHZ 0.8655
102 BRD 0.8655
103 795 0.8651
104 KYN 0.8651
105 1A5 0.8650
106 Q9P 0.8649
107 78Y 0.8646
108 P58 0.8643
109 1PS 0.8640
110 3B4 0.8638
111 MMN 0.8638
112 PPN 0.8635
113 7QS 0.8629
114 RQD 0.8629
115 AKD 0.8627
116 EN1 0.8626
117 X6W 0.8621
118 HJH 0.8619
119 AWE 0.8618
120 BZQ 0.8611
121 PPY 0.8604
122 C4L 0.8603
123 PFF 0.8602
124 RKV 0.8599
125 L06 0.8599
126 IPR 0.8595
127 MUK 0.8595
128 PTU 0.8582
129 PA5 0.8581
130 DEW 0.8581
131 IPE 0.8576
132 8D6 0.8572
133 2J2 0.8571
134 MW5 0.8561
135 5E4 0.8561
136 Q06 0.8547
137 60L 0.8542
138 4WK 0.8540
139 RK4 0.8539
140 DED 0.8531
141 PMV 0.8525
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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