Receptor
PDB id Resolution Class Description Source Keywords
1N92 1.47 Å EC: 1.1.1.1 HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH NAD+ AND 4- IODOPYRAZOLE EQUUS CABALLUS DEHYDROGENASE ALCOHOL NICOTINAMIDE COENZYME 4- IODOPYRAZOLE OXIDOREDUCTASE
Ref.: AMINO ACID RESIDUES IN THE NICOTINAMIDE BINDING SITE CONTRIBUTE TO CATALYSIS BY HORSE LIVER ALCOHOL DEHYDROGENASE BIOCHEMISTRY V. 42 2907 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MPD A:601;
 Invalid;
 none;
 submit data
118.174 C6 H14 O2 C[C@@...
NAJ PYZ A:377;
B:377;
 Valid;
Valid;
 none;
none;
 Ki = 0.02 uM
855.389 n/a Ic1cn...
ZN A:375;
A:376;
B:375;
B:376;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JHF 1 Å EC: 1.1.1.1 STRUCTURAL EVIDENCE FOR A LIGAND COORDINATION SWITCH IN LIVE DEHYDROGENASE EQUUS CABALLUS OXIDOREDUCTASE METAL COORDINATION NAD ZINC INHIBITION ACETYLATION METAL-BINDING ALCOHOL DEHYDROGENASE
Ref.: STRUCTURAL EVIDENCE FOR A LIGAND COORDINATION SWITC LIVER ALCOHOL DEHYDROGENASE BIOCHEMISTRY V. 46 5446 2007
Members (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 5VN1 Ki = 5.4 uM NWH C8 H17 N O CCCCC[C@H]....
3 2JHG - NAD IBO n/a n/a
4 6CY3 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
5 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
6 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1N8K - NAJ PZO n/a n/a
9 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
11 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
12 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
13 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
14 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
15 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
17 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
19 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
20 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
22 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
26 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
27 6CXX - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
28 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
29 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
30 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
32 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
35 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
37 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (65)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1E3I - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1E3E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5VN1 Ki = 5.4 uM NWH C8 H17 N O CCCCC[C@H]....
6 2JHG - NAD IBO n/a n/a
7 6CY3 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
8 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
9 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1N8K - NAJ PZO n/a n/a
12 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
15 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
16 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
17 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
18 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
20 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
22 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
23 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
29 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
30 6CXX - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
31 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
32 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
33 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
35 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
38 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
40 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 7AAU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
49 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
51 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
53 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
54 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
57 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
60 1HDX - CXL C6 H12 O C1CCC(CC1)....
61 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
63 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (66)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1E3I - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1E3E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5VN1 Ki = 5.4 uM NWH C8 H17 N O CCCCC[C@H]....
6 2JHG - NAD IBO n/a n/a
7 6CY3 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
8 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
9 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1N8K - NAJ PZO n/a n/a
12 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
15 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
16 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
17 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
18 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
20 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
22 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
23 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
29 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
30 6CXX - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
31 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
32 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
33 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
35 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
38 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
40 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 7AAU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
49 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
51 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
53 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
54 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
57 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
60 1HDX - CXL C6 H12 O C1CCC(CC1)....
61 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
63 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 1F8F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAJ PYZ; Similar ligands found: 190
No: Ligand ECFP6 Tc MDL keys Tc
1 NAJ PYZ 1 1
2 NAJ PZO 0.82906 0.95
3 80F 0.577778 0.829545
4 NAI 0.573643 0.890244
5 ADP PO3 0.570175 0.85
6 ATP MG 0.570175 0.85
7 ADP BEF 0.5625 0.85
8 ADP MG 0.5625 0.85
9 EAD 0.556338 0.858824
10 NDP DTT 0.554795 0.850575
11 BEF ADP 0.551724 0.829268
12 NMN AMP PO4 0.551471 0.925
13 AP0 0.541353 0.857143
14 P1H 0.541096 0.83908
15 VO4 ADP 0.537815 0.809524
16 ALF ADP 0.537815 0.833333
17 ANP MG 0.525 0.841463
18 ALF ADP 3PG 0.522388 0.825581
19 ADP BMA 0.52 0.831325
20 NAD IBO 0.518519 0.875
21 NAD TDB 0.518519 0.875
22 TDT 0.517647 0.791667
23 DAL AMP 0.512195 0.841463
24 AF3 ADP 3PG 0.511111 0.825581
25 GAP 0.508333 0.831325
26 NAX 0.503704 0.858824
27 A2D 0.5 0.829268
28 ATP A 0.5 0.8625
29 ATP A A A 0.5 0.8625
30 AHZ 0.5 0.766667
31 AR6 AR6 0.496241 0.851852
32 AMP MG 0.495575 0.8375
33 6V0 0.492647 0.879518
34 BA3 0.491379 0.829268
35 TXE 0.489051 0.845238
36 ADP 0.487179 0.807229
37 B4P 0.487179 0.829268
38 AP5 0.487179 0.829268
39 AMP NAD 0.485915 0.864198
40 MYR AMP 0.484615 0.766667
41 AN2 0.483051 0.819277
42 TXD 0.481752 0.823529
43 APC MG 0.479339 0.829268
44 CA0 0.478992 0.809524
45 1DG 0.47651 0.879518
46 DG1 0.47651 0.879518
47 8LQ 0.47619 0.8
48 NAE 0.47619 0.833333
49 4TA 0.475524 0.860465
50 NAD 0.475524 0.864198
51 0WD 0.475524 0.879518
52 HEJ 0.475 0.807229
53 KG4 0.475 0.809524
54 ATP 0.475 0.807229
55 ARG AMP 0.474074 0.758242
56 A 0.473684 0.804878
57 AMP 0.473684 0.804878
58 NAQ 0.472973 0.813953
59 SRP 0.472 0.8
60 5FA 0.471074 0.807229
61 AR6 0.471074 0.807229
62 PRX 0.471074 0.767442
63 AQP 0.471074 0.807229
64 APR 0.471074 0.807229
65 AT4 0.470588 0.77907
66 A1R 0.46875 0.761364
67 4AD 0.46875 0.811765
68 5AL 0.467742 0.819277
69 V2G 0.467742 0.793103
70 8LE 0.467742 0.790698
71 AD9 0.467213 0.788235
72 AGS 0.467213 0.770115
73 ADX 0.466667 0.736264
74 M33 0.466667 0.797619
75 NDP 0.464789 0.879518
76 ADJ 0.464789 0.797753
77 QA7 0.464567 0.790698
78 ACP 0.46281 0.788235
79 50T 0.46281 0.776471
80 45A 0.461538 0.785714
81 ABM 0.461538 0.785714
82 8QN 0.460938 0.819277
83 UP5 0.460432 0.855422
84 8LH 0.460317 0.8
85 ACQ 0.459677 0.788235
86 ANP 0.459677 0.809524
87 A3D 0.458904 0.853659
88 AMO 0.457364 0.8
89 Z5A 0.456954 0.873563
90 NDC 0.455128 0.813953
91 4TC 0.453901 0.835294
92 AHX 0.453846 0.793103
93 AP2 0.453782 0.77907
94 A12 0.453782 0.77907
95 LPA AMP 0.453237 0.766667
96 A22 0.453125 0.819277
97 OAD 0.450382 0.809524
98 9X8 0.450382 0.770115
99 ZID 0.450331 0.853659
100 9ZD 0.449612 0.802326
101 9ZA 0.449612 0.802326
102 6YZ 0.448819 0.788235
103 T99 0.448 0.77907
104 TAT 0.448 0.77907
105 9SN 0.447761 0.857143
106 APC 0.447154 0.77907
107 SON 0.446281 0.8
108 ADQ 0.446154 0.809524
109 PAJ 0.446154 0.764045
110 A3R 0.446154 0.761364
111 HQG 0.445312 0.797619
112 SRA 0.444444 0.767442
113 3OD 0.443609 0.809524
114 NB8 0.443609 0.793103
115 00A 0.442748 0.86747
116 AU1 0.442623 0.809524
117 ATF 0.440945 0.821429
118 3UK 0.439394 0.831325
119 DQV 0.438849 0.841463
120 OOB 0.438462 0.841463
121 5SV 0.438462 0.733333
122 OZV 0.438462 0.807229
123 PR8 0.43609 0.755556
124 LAD 0.43609 0.764045
125 WAQ 0.43609 0.781609
126 KMQ 0.433824 0.8
127 B5M 0.433824 0.811765
128 NDE 0.433121 0.843373
129 1ZZ 0.432836 0.747253
130 ME8 0.432836 0.747253
131 PTJ 0.432836 0.772727
132 NAD NDT 0.432749 0.705882
133 48N 0.432624 0.772727
134 ADV 0.432 0.77907
135 RBY 0.432 0.77907
136 JNT 0.431818 0.788235
137 DLL 0.431818 0.841463
138 7MD 0.431655 0.766667
139 MAP 0.430769 0.790698
140 25L 0.42963 0.819277
141 DND 0.429577 0.843373
142 PO4 PO4 A A A A PO4 0.428571 0.8375
143 LEU LMS 0.428571 0.708333
144 4UV 0.427536 0.878049
145 AMP DBH 0.427536 0.809524
146 25A 0.427481 0.829268
147 NAD BBN 0.426829 0.808989
148 5AS 0.42623 0.697917
149 B5V 0.425373 0.821429
150 L3W 0.423611 0.865854
151 FA5 0.423358 0.821429
152 TXA 0.422222 0.8
153 NZQ 0.421769 0.869048
154 NAD CJ3 0.421687 0.782609
155 AFH 0.421429 0.825581
156 DAL FAD PER 0.41954 0.778947
157 G5A 0.417323 0.715789
158 N01 0.417219 0.864198
159 OMR 0.416667 0.73913
160 T5A 0.414966 0.829545
161 FAD T2C 0.414773 0.744898
162 7MC 0.413793 0.75
163 YLC 0.413793 0.766667
164 B5Y 0.413043 0.811765
165 YLP 0.412587 0.731183
166 CNA 0.412162 0.843373
167 AYB 0.412162 0.723404
168 BIS 0.411765 0.802326
169 CNV FAD 0.411765 0.784946
170 LMS 0.411765 0.736264
171 4UU 0.411348 0.878049
172 XAH 0.410072 0.766667
173 F2R 0.409396 0.731183
174 TAD 0.408451 0.764045
175 TYM 0.406897 0.821429
176 LAQ 0.405594 0.747253
177 139 0.405405 0.816092
178 NPW 0.405405 0.848837
179 YLA 0.405405 0.75
180 G3A 0.404255 0.793103
181 UPA 0.40411 0.845238
182 YLB 0.40411 0.731183
183 NSS 0.402985 0.734043
184 FYA 0.40146 0.797619
185 G5P 0.401408 0.793103
186 A4P 0.401361 0.791209
187 FAD NBT 0.401163 0.762887
188 FAD CNX 0.4 0.722772
189 NVA LMS 0.4 0.71134
190 4UW 0.4 0.847059
Similar Ligands (3D)
Ligand no: 1; Ligand: NAJ PYZ; Similar ligands found: 1
No: Ligand Similarity coefficient
1 NAJ 0.8823
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JHF; Ligand: NAD; Similar sites found with APoc: 9
This union binding pocket(no: 1) in the query (biounit: 2jhf.bio1) has 193 residues
No: Leader PDB Ligand Sequence Similarity
1 6ISV NAD 38.6667
2 1PL6 NAD 42.1348
3 1PL6 NAD 42.1348
4 1PL6 NAD 42.1348
5 1PL6 NAD 42.1348
6 1PL6 NAD 42.1348
7 1PL6 NAD 42.1348
8 1PL6 NAD 42.1348
9 1PL6 NAD 42.1348
Pocket No.: 2; Query (leader) PDB : 2JHF; Ligand: NAD; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 2jhf.bio1) has 194 residues
No: Leader PDB Ligand Sequence Similarity
1 6ISV NAD 38.6667
2 1PL6 NAD 42.1348
3 1PL6 NAD 42.1348
4 1PL6 NAD 42.1348
5 1PL6 NAD 42.1348
6 1PL6 NAD 42.1348
7 1PL6 NAD 42.1348
8 1PL6 NAD 42.1348
9 1PL6 NAD 42.1348
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