-->
Receptor
PDB id Resolution Class Description Source Keywords
1DR7 2.4 Å EC: 1.5.1.3 CRYSTAL STRUCTURES OF ORGANOMERCURIAL-ACTIVATED CHICKEN LIVE DIHYDROFOLATE REDUCTASE COMPLEXES GALLUS GALLUS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF ORGANOMERCURIAL-ACTIVATED CHI LIVER DIHYDROFOLATE REDUCTASE COMPLEXES TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:200;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MBO A:201;
Invalid;
none;
submit data
321.703 C7 H5 Hg O2 c1cc(...
NAP A:191;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DR1 2.2 Å EC: 1.5.1.3 2.2 ANGSTROMS CRYSTAL STRUCTURE OF CHICKEN LIVER DIHYDROFOLA REDUCTASE COMPLEXED WITH NADP+ AND BIOPTERIN GALLUS GALLUS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF CHICKEN LIVER DIHYDROFOLATE RE COMPLEXED WITH NADP+ AND BIOPTERIN. BIOCHEMISTRY V. 31 7264 1992
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 1DR6 - HBI C9 H13 N5 O3 C[C@@H]([C....
2 1DR1 - HBI C9 H13 N5 O3 C[C@@H]([C....
3 1DR3 - HBI C9 H13 N5 O3 C[C@@H]([C....
4 1DR4 - HBI C9 H13 N5 O3 C[C@@H]([C....
5 1DR7 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1DR2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
7 1DR5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 8DFR - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (71)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 2FZJ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3K47 ic50 = 14.5 uM D09 C16 H16 N4 O2 C/C(=Cc1co....
3 3D80 - Q22 C21 H19 N7 O c1cc2c(cc1....
4 3D84 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 3K45 ic50 = 3.9 uM 51P C16 H16 N4 O2 C/C(=C/c1c....
6 1U70 Ki = 230 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
7 4QJC ic50 = 0.15 uM IXE C14 H11 F3 N6 CN(c1cc(c(....
8 4QHV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 2C2S ic50 = 0.15 uM 34B C8 H20 B10 N4 [BH]1234[B....
10 1U71 - MXA C17 H19 N5 O2 Cc1c(cnc2c....
11 4G95 Ki = 24.4 nM OAG C14 H12 Cl2 N6 c1cc(c(cc1....
12 1OHJ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 3NZD - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
14 3GHV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
15 3NXV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
16 1PD9 - CO4 C19 H24 N6 O3 Cc1c(cnc2c....
17 3NXX Ki = 11 uM D2D C19 H22 N4 O2 CC(C)C/C(=....
18 1DHF Kd = 0.111 uM FOL C19 H19 N7 O6 c1cc(ccc1C....
19 3F8Y Ki = 8.3 nM DH1 C17 H22 N4 O4 COc1ccc(cc....
20 3GYF ic50 = 12.3 nM 51P C16 H16 N4 O2 C/C(=C/c1c....
21 4KFJ ic50 = 60 nM 1R0 C25 H23 N5 O CCc1c(c(nc....
22 3S7A - 684 C25 H23 N7 O3 c1ccc2c(c1....
23 4M6K - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
24 4KAK ic50 = 1300 nM 06U C22 H23 N5 O CCc1c(c(nc....
25 1MVT - DTM C18 H22 N6 O3 CN(Cc1cc(c....
26 1DRF Kd = 0.111 uM FOL C19 H19 N7 O6 c1cc(ccc1C....
27 1PD8 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
28 1S3V - TQD C19 H29 N5 O3 CN(CC1CCC2....
29 3NXT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
30 3NU0 ic50 = 0.1 uM 3TU C24 H21 N5 O6 S c1cc(c2c(c....
31 4KEB ic50 = 45 nM 1QZ C26 H25 N5 O CCc1c(c(nc....
32 1BOZ ic50 = 8500 nM PRD C17 H20 N6 O2 C[N@](Cc1c....
33 1DLR Ki = 16.4 nM MXA C17 H19 N5 O2 Cc1c(cnc2c....
34 3GHW Kd = 0.02 uM GHW C19 H18 N4 O6 S2 Cc1c(c2c(s....
35 1HFR Ki = 790 nM MOT C20 H22 N6 O6 C[N@](Cc1c....
36 4M6J - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
37 3F91 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
38 3NXO Ki = 0.83 uM D2B C18 H20 N4 O2 CC(C)/C(=C....
39 4DDR Ki = 2841 nM MMV C18 H24 N4 O4 CCc1c(c(nc....
40 3NXY - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
41 3F8Z Ki = 66 nM DH1 C17 H22 N4 O4 COc1ccc(cc....
42 3S3V Ki = 593 nM TOP C14 H18 N4 O3 COc1cc(cc(....
43 1U72 Kd = 0.0034 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
44 4M6L - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
45 1DLS Ki = 10.9 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
46 1KMV - LII C18 H19 N5 O2 Cc1c(cnc2c....
47 1MVS - DTM C18 H22 N6 O3 CN(Cc1cc(c....
48 4KBN ic50 = 330 nM 25U C19 H18 N6 CCc1c(c(nc....
49 3NXR Ki = 11 uM D2D C19 H22 N4 O2 CC(C)C/C(=....
50 1S3W - TQT C17 H33 N5 C1CCC2C(C1....
51 3NTZ ic50 = 0.09 uM 3TZ C23 H21 N5 O6 S c1cc(c2c(c....
52 3GHC - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
53 1HFP Ki = 1036 nM MOT C20 H22 N6 O6 C[N@](Cc1c....
54 2C2T ic50 = 15 uM 39B C8 H20 B9 N4 [H]1[BH]2[....
55 3GI2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
56 2DHF - DZF C20 H20 N6 O6 c1cc(ccc1C....
57 1OHK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
58 1HFQ Ki = 2.7 nM MOT C20 H22 N6 O6 C[N@](Cc1c....
59 1S3U - TQD C19 H29 N5 O3 CN(CC1CCC2....
60 3N0H Ki = 617 nM TOP C14 H18 N4 O3 COc1cc(cc(....
61 3EIG Ki = 21 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
62 1KMS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
63 3FS6 Ki = 230 nM DH1 C17 H22 N4 O4 COc1ccc(cc....
64 1DR6 - HBI C9 H13 N5 O3 C[C@@H]([C....
65 1DR1 - HBI C9 H13 N5 O3 C[C@@H]([C....
66 1DR3 - HBI C9 H13 N5 O3 C[C@@H]([C....
67 1DR4 - HBI C9 H13 N5 O3 C[C@@H]([C....
68 1DR7 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
69 1DR2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
70 1DR5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
71 8DFR - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (242)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2FZJ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3K47 ic50 = 14.5 uM D09 C16 H16 N4 O2 C/C(=Cc1co....
3 3D80 - Q22 C21 H19 N7 O c1cc2c(cc1....
4 3D84 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 3K45 ic50 = 3.9 uM 51P C16 H16 N4 O2 C/C(=C/c1c....
6 1U70 Ki = 230 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
7 4QJC ic50 = 0.15 uM IXE C14 H11 F3 N6 CN(c1cc(c(....
8 4QHV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 2C2S ic50 = 0.15 uM 34B C8 H20 B10 N4 [BH]1234[B....
10 1U71 - MXA C17 H19 N5 O2 Cc1c(cnc2c....
11 4G95 Ki = 24.4 nM OAG C14 H12 Cl2 N6 c1cc(c(cc1....
12 1OHJ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 3NZD - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
14 3GHV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
15 3NXV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
16 1PD9 - CO4 C19 H24 N6 O3 Cc1c(cnc2c....
17 3NXX Ki = 11 uM D2D C19 H22 N4 O2 CC(C)C/C(=....
18 1DHF Kd = 0.111 uM FOL C19 H19 N7 O6 c1cc(ccc1C....
19 3F8Y Ki = 8.3 nM DH1 C17 H22 N4 O4 COc1ccc(cc....
20 3GYF ic50 = 12.3 nM 51P C16 H16 N4 O2 C/C(=C/c1c....
21 4KFJ ic50 = 60 nM 1R0 C25 H23 N5 O CCc1c(c(nc....
22 3S7A - 684 C25 H23 N7 O3 c1ccc2c(c1....
23 4M6K - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
24 4KAK ic50 = 1300 nM 06U C22 H23 N5 O CCc1c(c(nc....
25 1MVT - DTM C18 H22 N6 O3 CN(Cc1cc(c....
26 1DRF Kd = 0.111 uM FOL C19 H19 N7 O6 c1cc(ccc1C....
27 1PD8 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
28 1S3V - TQD C19 H29 N5 O3 CN(CC1CCC2....
29 3NXT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
30 3NU0 ic50 = 0.1 uM 3TU C24 H21 N5 O6 S c1cc(c2c(c....
31 4KEB ic50 = 45 nM 1QZ C26 H25 N5 O CCc1c(c(nc....
32 1BOZ ic50 = 8500 nM PRD C17 H20 N6 O2 C[N@](Cc1c....
33 1DLR Ki = 16.4 nM MXA C17 H19 N5 O2 Cc1c(cnc2c....
34 3GHW Kd = 0.02 uM GHW C19 H18 N4 O6 S2 Cc1c(c2c(s....
35 1HFR Ki = 790 nM MOT C20 H22 N6 O6 C[N@](Cc1c....
36 4M6J - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
37 3F91 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
38 3NXO Ki = 0.83 uM D2B C18 H20 N4 O2 CC(C)/C(=C....
39 4DDR Ki = 2841 nM MMV C18 H24 N4 O4 CCc1c(c(nc....
40 3NXY - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
41 3F8Z Ki = 66 nM DH1 C17 H22 N4 O4 COc1ccc(cc....
42 3S3V Ki = 593 nM TOP C14 H18 N4 O3 COc1cc(cc(....
43 1U72 Kd = 0.0034 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
44 4M6L - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
45 1DLS Ki = 10.9 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
46 1KMV - LII C18 H19 N5 O2 Cc1c(cnc2c....
47 1MVS - DTM C18 H22 N6 O3 CN(Cc1cc(c....
48 4KBN ic50 = 330 nM 25U C19 H18 N6 CCc1c(c(nc....
49 3NXR Ki = 11 uM D2D C19 H22 N4 O2 CC(C)C/C(=....
50 1S3W - TQT C17 H33 N5 C1CCC2C(C1....
51 3NTZ ic50 = 0.09 uM 3TZ C23 H21 N5 O6 S c1cc(c2c(c....
52 3GHC - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
53 1HFP Ki = 1036 nM MOT C20 H22 N6 O6 C[N@](Cc1c....
54 2C2T ic50 = 15 uM 39B C8 H20 B9 N4 [H]1[BH]2[....
55 3GI2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
56 2DHF - DZF C20 H20 N6 O6 c1cc(ccc1C....
57 1OHK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
58 1HFQ Ki = 2.7 nM MOT C20 H22 N6 O6 C[N@](Cc1c....
59 1S3U - TQD C19 H29 N5 O3 CN(CC1CCC2....
60 3N0H Ki = 617 nM TOP C14 H18 N4 O3 COc1cc(cc(....
61 3EIG Ki = 21 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
62 1KMS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
63 3FS6 Ki = 230 nM DH1 C17 H22 N4 O4 COc1ccc(cc....
64 3FQO ic50 = 0.67 uM N22 C17 H20 N4 O2 CCc1c(c(nc....
65 3SRU Ki = 0.02 nM Q26 C23 H23 N5 O3 S CCOc1ccc(c....
66 3FY9 Ki = 3.5 nM XCF C19 H22 N4 O3 COc1cc(c2c....
67 4LEK Ki = 0.16 nM 1DN C20 H17 N7 O2 S COc1cc2c(c....
68 4TU5 ic50 = 18 nM 06W C22 H23 N5 O CCc1c(c(nc....
69 2W9G Kd = 8.1 nM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70 3SRQ Ki = 0.48 nM Q19 C17 H16 N4 O Cc1cc2c(cc....
71 4LAG Ki = 0.011 nM 1VN C20 H16 Cl N7 S Cc1cc2c(cc....
72 3M08 Ki = 2.8 nM RAR C27 H30 N6 O3 CCC[C@H]1c....
73 3FYW Ki = 0.23 nM I2H C19 H22 N4 O3 COc1cc(c2c....
74 3FRD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
75 3F0Q Ki = 10 nM 52V C24 H26 N4 O Cc1cccc(c1....
76 2W9H Kd = 430 nM TOP C14 H18 N4 O3 COc1cc(cc(....
77 4LAE Ki = 0.002 nM 1VM C20 H17 N7 S Cc1cc2c(cc....
78 3FYV Ki = 0.22 nM XCF C19 H22 N4 O3 COc1cc(c2c....
79 3F0U ic50 = 0.19 uM 53R C22 H22 N4 O Cc1c(c(nc(....
80 3FQ0 ic50 = 0.068 uM N22 C17 H20 N4 O2 CCc1c(c(nc....
81 3FQF ic50 = 0.75 uM 55V C19 H24 N4 O3 Cc1c(c(nc(....
82 3SRS Ki = 0.76 nM M23 C17 H17 Br N4 O CCOc1ccc(c....
83 3F0B ic50 = 0.061 uM 53R C22 H22 N4 O Cc1c(c(nc(....
84 3FRA Ka = 76000000 M^-1 I2H C19 H22 N4 O3 COc1cc(c2c....
85 5ISQ Ki = 158.3 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
86 4FGH Ki = 2.9 nM 0U6 C30 H34 N6 O3 CCc1c(c(nc....
87 3FRB Ka = 5800000 M^-1 TOP C14 H18 N4 O3 COc1cc(cc(....
88 3SRR Ki = 0.24 nM Q20 C18 H18 N4 O2 CCOc1ccc(c....
89 5JG0 ic50 = 0.01 uM UC9 C24 H22 N4 O4 CCc1c(c(nc....
90 3FQV ic50 = 0.77 uM 11F C22 H22 N4 O Cc1c(c(nc(....
91 5ISP Ki = 11.75 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
92 4LAH Ki = 0.096 nM 1VO C20 H17 N7 S Cc1cc2c(cc....
93 3SRW Ki = 0.026 nM Q27 C21 H20 N4 O CCOc1ccc2c....
94 3I8A Ki = 0.12 uM N22 C17 H20 N4 O2 CCc1c(c(nc....
95 3M09 Ki = 0.9 nM RAR C27 H30 N6 O3 CCC[C@H]1c....
96 4FGG Ki = 4.1 nM 0U5 C31 H36 N6 O3 CCCc1c(c(n....
97 3FRE Ki = 0.0006 uM TOP C14 H18 N4 O3 COc1cc(cc(....
98 5IST Ki = 3.89 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
99 3FY8 Ki = 0.9 nM I2H C19 H22 N4 O3 COc1cc(c2c....
100 3SR5 Ki = 0.35 nM Q12 C17 H18 N4 O2 Cc1cc2c(cc....
101 1RA9 Kd = 24 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
102 3QYL Ki = 1 uM 7ME C9 H14 N4 C[C@H]1CCc....
103 1RA1 Kd = 24 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
104 1RX6 - DDF C21 H25 N5 O6 c1cc(ccc1C....
105 1JOM - FFO C20 H23 N7 O7 c1cc(ccc1C....
106 2D0K Kd = 9.51 uM FOL C19 H19 N7 O6 c1cc(ccc1C....
107 1DRA - MTX C20 H22 N8 O5 CN(Cc1cnc2....
108 1RC4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
109 5Z6M - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
110 2ANQ ic50 = 0.075 uM C1A C14 H22 N8 S2 [H]/N=C(/N....
111 4PSY - FOL C19 H19 N7 O6 c1cc(ccc1C....
112 4KJJ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
113 5CCC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
114 3QYO Ki = 7 uM Q24 C8 H8 N4 c1ccc2c(c1....
115 6DFR Kd = 24 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
116 4P68 - MTX C20 H22 N8 O5 CN(Cc1cnc2....
117 1RX1 Kd = 24 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
118 1TDR - MTX C20 H22 N8 O5 CN(Cc1cnc2....
119 3OCH - 2MX C49 H62 N18 O8 CN(Cc1cnc2....
120 7DFR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
121 4PSS - FOL C19 H19 N7 O6 c1cc(ccc1C....
122 5UJX - FOL C19 H19 N7 O6 c1cc(ccc1C....
123 2DRC Kd = 0.13 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
124 3R33 Ki = 0.8 uM 6ME C9 H14 N4 C[C@H]1CCc....
125 1RB3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
126 1DHI Kd = 55 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
127 1DYI - FOL C19 H19 N7 O6 c1cc(ccc1C....
128 1RA2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
129 4DFR - MTX C20 H22 N8 O5 CN(Cc1cnc2....
130 4PST - FOL C19 H19 N7 O6 c1cc(ccc1C....
131 5UIO - 8DM C12 H14 N2 O5 c1cc(ccc1C....
132 3DAU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
133 4NX7 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
134 3QL3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
135 4PTH - FOL C19 H19 N7 O6 c1cc(ccc1C....
136 4GH8 Kd = 2.6 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
137 4P3R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
138 3QL0 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
139 4P66 - MTX C20 H22 N8 O5 CN(Cc1cnc2....
140 5W3Q - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
141 5CC9 - DDF C21 H25 N5 O6 c1cc(ccc1C....
142 1DRB - MTX C20 H22 N8 O5 CN(Cc1cnc2....
143 1RG7 Kd = 0.7 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
144 1DDS - MTX C20 H22 N8 O5 CN(Cc1cnc2....
145 1DRH Kd = 24 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
146 4QLF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
147 1RH3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
148 1RA8 - FOL C19 H19 N7 O6 c1cc(ccc1C....
149 1DHJ Kd = 281 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
150 4PTJ - FOL C19 H19 N7 O6 c1cc(ccc1C....
151 1RX3 - MTX C20 H22 N8 O5 CN(Cc1cnc2....
152 5UIH Kd = 0.188 mM 8CV C10 H15 N5 [H]/N=C(/N....
153 5Z6F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
154 1DYH - DZF C20 H20 N6 O6 c1cc(ccc1C....
155 1RX9 Kd = 24 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
156 3DRC Kd = 0.7 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
157 1DDR - MTX C20 H22 N8 O5 CN(Cc1cnc2....
158 1JOL - FFO C20 H23 N7 O7 c1cc(ccc1C....
159 1RX4 - DDF C21 H25 N5 O6 c1cc(ccc1C....
160 1RA3 - MTX C20 H22 N8 O5 CN(Cc1cnc2....
161 5Z6L - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
162 4P3Q - FOL C19 H19 N7 O6 c1cc(ccc1C....
163 4KJK - FOL C19 H19 N7 O6 c1cc(ccc1C....
164 1RF7 - DHF C19 H21 N7 O6 c1cc(ccc1C....
165 1RX5 - DDF C21 H25 N5 O6 c1cc(ccc1C....
166 4QLE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
167 1RX2 - FOL C19 H19 N7 O6 c1cc(ccc1C....
168 1RX7 - FOL C19 H19 N7 O6 c1cc(ccc1C....
169 4NX6 - FOL C19 H19 N7 O6 c1cc(ccc1C....
170 5Z6K - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
171 1DYJ - DDF C21 H25 N5 O6 c1cc(ccc1C....
172 4KJL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
173 3IX9 Ki = 3.9 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
174 3DFR ic50 = 3 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
175 1M79 ic50 = 320 nM MQ1 C15 H14 N4 O2 COc1ccc(cc....
176 3QLR ic50 = 45 nM QLR C19 H24 N4 O3 CC[C@@H](C....
177 1AOE Ki = 0.22 nM GW3 C15 H19 N5 CCC(CC)n1c....
178 1IA3 ic50 = 8 nM TQ5 C18 H20 N4 S CC(C)(C)c1....
179 4HOF ic50 = 20 nM 18H C22 H22 N4 O Cc1c(c(nc(....
180 3QLW ic50 = 100 nM N22 C17 H20 N4 O2 CCc1c(c(nc....
181 1IA1 ic50 = 0.034 uM TQ3 C14 H12 N4 S c1ccc(cc1)....
182 3QLS ic50 = 33 nM 55V C19 H24 N4 O3 Cc1c(c(nc(....
183 1AI9 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
184 1IA4 ic50 = 0.13 uM TQ6 C18 H19 N5 O S c1cc2c(c(c....
185 4HOE ic50 = 36 nM 18G C23 H24 N4 O2 Cc1c(c(nc(....
186 1M7A ic50 = 9 nM MQU C15 H19 N5 O2 COCC(COC)n....
187 1M78 ic50 = 52 nM CLZ C8 H8 Cl N5 O2 c1cc2c(c(c....
188 1IA2 ic50 = 0.023 uM TQ4 C15 H14 N4 S Cc1ccc(cc1....
189 3QLZ ic50 = 15 nM QLZ C18 H22 N4 O2 CCCc1c(c(n....
190 3EEK ic50 = 0.61 nM 53S C23 H24 N4 O Cc1ccc(cc1....
191 3CSE ic50 = 8.2 nM N22 C17 H20 N4 O2 CCc1c(c(nc....
192 3QLX ic50 = 27 nM QLR C19 H24 N4 O3 CC[C@@H](C....
193 3EEJ ic50 = 7.3 nM 53R C22 H22 N4 O Cc1c(c(nc(....
194 3EEM ic50 = 5.5 nM 53V C24 H26 N4 O Cc1cccc(c1....
195 4HOG ic50 = 5.5 nM 18H C22 H22 N4 O Cc1c(c(nc(....
196 3IA4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
197 1DR6 - HBI C9 H13 N5 O3 C[C@@H]([C....
198 1DR1 - HBI C9 H13 N5 O3 C[C@@H]([C....
199 1DR3 - HBI C9 H13 N5 O3 C[C@@H]([C....
200 1DR4 - HBI C9 H13 N5 O3 C[C@@H]([C....
201 1DR7 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
202 1DR2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
203 1DR5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
204 8DFR - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
205 4ELG Ki = 6.9 nM 52J C28 H32 N6 O3 CC(C)C[C@H....
206 3DAT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
207 3E0B ic50 = 0.89 uM N22 C17 H20 N4 O2 CCc1c(c(nc....
208 2QK8 ic50 ~ 20 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
209 4ELE Ki = 13.4 nM 31I C27 H30 N6 O3 CC(C)[C@H]....
210 4ELH Ki = 8.2 nM 53I C28 H30 N6 O3 CC(=C[C@@H....
211 3FL8 ic50 = 54 nM RAR C27 H30 N6 O3 CCC[C@H]1c....
212 4ELF Ki = 9.4 nM 35I C27 H27 F3 N6 O3 COc1cc(cc(....
213 3FL9 ic50 = 77 mM TOP C14 H18 N4 O3 COc1cc(cc(....
214 1S3Y ic50 = 210 nM TQT C17 H33 N5 C1CCC2C(C1....
215 4IXG ic50 = 0.076 uM IXG C14 H14 N6 CN(c1ccccc....
216 2FZH ic50 = 0.049 nM DH1 C17 H22 N4 O4 COc1ccc(cc....
217 4CD2 - FOL C19 H19 N7 O6 c1cc(ccc1C....
218 3NZC - D2O C24 H25 N5 O2 Cc1c(cnc2c....
219 3NZA - D2K C22 H27 N5 O4 CCOC(=O)CC....
220 4G8Z Ki = 227 nM TOP C14 H18 N4 O3 COc1cc(cc(....
221 3NZ6 ic50 = 1.3 nM D2J C22 H27 N5 O4 Cc1c(cnc2c....
222 1CD2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
223 3NZB ic50 = 35 nM D2N C24 H31 N5 O4 CCOC(=O)CC....
224 3NZ9 ic50 = 6.5 nM D2K C22 H27 N5 O4 CCOC(=O)CC....
225 1DYR ic50 = 20 uM TOP C14 H18 N4 O3 COc1cc(cc(....
226 3TD8 ic50 = 1.2 nM D2R C22 H23 N5 O3 Cc1c(cnc2c....
227 1LY3 ic50 = 87 nM COG C18 H21 N5 O2 CN(Cc1cc(c....
228 3CD2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
229 1VJ3 ic50 = 0.17 uM TAB C23 H26 Cl N7 O2 CCc1c(c(nc....
230 1E26 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
231 1DAJ Ki = 6.5 nM MOT C20 H22 N6 O6 C[N@](Cc1c....
232 2FZI ic50 = 1 nM DH3 C19 H22 N4 O4 COc1cc(cc(....
233 4IXE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
234 1KLK ic50 = 0.21 uM PMD C21 H17 N7 c1ccc2c(c1....
235 2CD2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
236 4IXF - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
237 1LY4 ic50 = 76 nM COQ C17 H20 N6 O2 CN(Cc1cc(c....
238 4M7V Ki = 4.5 nM RAR C27 H30 N6 O3 CCC[C@H]1c....
239 4M7U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
240 2W9S Kd = 2370 nM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
241 4OR7 ic50 = 23 nM 25U C19 H18 N6 CCc1c(c(nc....
242 5DXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DR1; Ligand: NAP; Similar sites found with APoc: 166
This union binding pocket(no: 1) in the query (biounit: 1dr1.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 3B6C SDN None
3 3KYF 5GP 5GP None
4 2RI1 GLP None
5 5G3L SIA None
6 5AIP 4HP None
7 3NOJ PYR None
8 2RDE C2E 1.0582
9 3EWR APR 1.19048
10 1JAY F42 1.41509
11 2CZL TLA 1.5873
12 4XT8 TMQ 2.1164
13 4XT8 NAP 2.1164
14 2ZX2 RAM 2.1164
15 3B5J 12D 2.1164
16 1UAY ADN 2.1164
17 4DOO DAO 2.1164
18 2PFY PCA 2.1164
19 2FKA BEF 2.32558
20 2BES RES 2.32558
21 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.6455
22 1T10 F6P 2.6455
23 1QPR PHT 2.6455
24 5HV7 RBL 2.6455
25 1GOJ ADP 2.6455
26 3L9W AMP 2.6455
27 4XFR CIT 2.6455
28 4RT1 C2E 2.67857
29 2IYA UDP 3.1746
30 4RL4 PPV 3.1746
31 5N53 8NB 3.1746
32 1BG2 ADP 3.1746
33 2YAJ 4HP 3.1746
34 2P3V SRT 3.1746
35 4R2I ANP 3.1746
36 4HSE ADP 3.1746
37 1MVN FMN 3.1746
38 4X1T UDP 3.1746
39 1G7C 5GP 3.1746
40 5NM7 GLY 3.38346
41 4UCC ZKW 3.7037
42 1PFK ADP 3.7037
43 5B0I BOG 3.7037
44 2QV7 ADP 3.7037
45 2X1E X1E 3.7037
46 5XQL C2E 3.7037
47 1Q19 SSC 3.7037
48 1QH8 HCA 3.7037
49 2Q8M AMP 3.7037
50 2VVG ADP 3.7037
51 4NTO 1PW 4.2328
52 4G86 BNT 4.2328
53 2AWN ADP 4.2328
54 5AJU RP5 4.2328
55 3KCC CMP 4.2328
56 3PMA SCR 4.2328
57 4U00 ADP 4.2328
58 3NHB ADP 4.2328
59 1JJ7 ADP 4.2328
60 3U1T MLI 4.2328
61 5C9P FUC 4.2328
62 5TV6 PML 4.2328
63 2CFC KPC 4.2328
64 3Q3H UDP 4.2328
65 1R6N 434 4.2328
66 3CV2 COA 4.2328
67 3QFU ADP 4.2328
68 2D7I UDP 4.2328
69 1YBU APC 4.34783
70 4AKB GAL 4.51128
71 5ZBL AMP 4.7619
72 3GQT UFO 4.7619
73 1XX6 ADP 4.7619
74 2KIN ADP 4.7619
75 5W75 SUC 4.7619
76 1TZJ A3B 4.7619
77 6ACS CIT 4.7619
78 6BK3 UDP 4.7619
79 1NLM UD1 4.7619
80 5URY PAM 4.79452
81 2HT6 GDP 5.17241
82 1FWV SGA MAG FUC 5.22388
83 5AHO TLA 5.29101
84 3TDC 0EU 5.29101
85 1EJH M7G 5.29101
86 6F5W KG1 5.29101
87 3W68 4PT 5.29101
88 2VZ6 FEF 5.29101
89 2FT0 ACO 5.29101
90 3EB9 FLC 5.29101
91 3I7S PYR 5.29101
92 4HA9 NDP 5.82011
93 3HWW AKG 5.82011
94 4YJ1 ADP 5.82011
95 4PPF FLC 5.82011
96 5HWK BEZ 5.82011
97 5OBU ANP 5.82011
98 5LW0 AR6 5.82011
99 4WBD CIT 6.34921
100 2PZE ATP 6.34921
101 2ACV UDP 6.34921
102 1C3X 8IG 6.34921
103 5LY1 PPI 6.34921
104 2IYF UDP 6.34921
105 4KYK IMN 6.52174
106 1GXU 2HP 6.59341
107 5BXV MGP 6.81818
108 1RJW ETF 6.87831
109 5ODQ 9SB 6.87831
110 4DDY DN6 7.40741
111 2OBM ADP 7.40741
112 1LVW TYD 7.40741
113 5ZI9 FLC 7.40741
114 2J5B TYE 7.40741
115 3HGM ATP 7.48299
116 1HTW ADP 7.59494
117 5A96 GTP 7.93651
118 3EYK EYK 7.93651
119 1G6H ADP 7.93651
120 5IRN ADP 7.93651
121 1YQT ADP 8.46561
122 3WCS MAN NAG 8.46561
123 5YV5 ADP 8.46561
124 6CS8 F9Y 8.46561
125 5AR0 GB8 8.46561
126 2BS5 BGC GAL FUC 8.88889
127 3TAO PGH 8.99471
128 3H2K BOG 8.99471
129 5E5U MLI 9.52381
130 2NUN ADP 9.52381
131 3BOS CDP 9.52381
132 3GFS FMN 9.52381
133 1H5S TMP 10.0529
134 1T0S BML 10.582
135 1NJF ADP 10.582
136 1T9D P22 11.1111
137 5WKC TP9 11.1111
138 2EFX NFA 11.1111
139 4WZ6 ATP 11.6402
140 5Y4R C2E 11.7241
141 2J0B UDP 12.1693
142 5EXA 5SO 12.1693
143 1T5C ADP 12.6984
144 5OVK NDP 12.6984
145 2F2U M77 12.6984
146 5XLY C2E 12.782
147 4HEQ FMN 13.0137
148 3ANY 2A3 13.2275
149 3KC1 2T6 13.2275
150 4KVL PLM 13.7566
151 1GPJ CIT 14.8148
152 5FPE 3TR 15.3439
153 1HBK MYR 15.7303
154 3B9Q MLI 15.873
155 1J78 OLA 16.9312
156 2CE7 ADP 16.9312
157 5ZCO CHD 17.0213
158 3HBF UDP 17.9894
159 3ZUY TCH 17.9894
160 5T96 79J 19.0476
161 4WOE ADP 22.2222
162 1YBH P22 23.2804
163 1XF1 CIT 26.455
164 2VOH CIT 30.7692
165 4EIL NDP 48.6772
166 4EIL FOL 48.6772
Pocket No.: 2; Query (leader) PDB : 1DR1; Ligand: NAP; 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: 1dr1.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1DR1; Ligand: HBI; Similar sites found with APoc: 166
This union binding pocket(no: 3) in the query (biounit: 1dr1.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 3B6C SDN None
3 3KYF 5GP 5GP None
4 2RI1 GLP None
5 5G3L SIA None
6 5AIP 4HP None
7 3NOJ PYR None
8 2RDE C2E 1.0582
9 3EWR APR 1.19048
10 1JAY F42 1.41509
11 2CZL TLA 1.5873
12 4XT8 TMQ 2.1164
13 4XT8 NAP 2.1164
14 2ZX2 RAM 2.1164
15 3B5J 12D 2.1164
16 1UAY ADN 2.1164
17 4DOO DAO 2.1164
18 2PFY PCA 2.1164
19 2FKA BEF 2.32558
20 2BES RES 2.32558
21 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.6455
22 1T10 F6P 2.6455
23 1QPR PHT 2.6455
24 5HV7 RBL 2.6455
25 1GOJ ADP 2.6455
26 3L9W AMP 2.6455
27 4XFR CIT 2.6455
28 4RT1 C2E 2.67857
29 2IYA UDP 3.1746
30 4RL4 PPV 3.1746
31 5N53 8NB 3.1746
32 1BG2 ADP 3.1746
33 2YAJ 4HP 3.1746
34 2P3V SRT 3.1746
35 4R2I ANP 3.1746
36 4HSE ADP 3.1746
37 1MVN FMN 3.1746
38 4X1T UDP 3.1746
39 1G7C 5GP 3.1746
40 5NM7 GLY 3.38346
41 4UCC ZKW 3.7037
42 1PFK ADP 3.7037
43 5B0I BOG 3.7037
44 2QV7 ADP 3.7037
45 2X1E X1E 3.7037
46 5XQL C2E 3.7037
47 1Q19 SSC 3.7037
48 1QH8 HCA 3.7037
49 2Q8M AMP 3.7037
50 2VVG ADP 3.7037
51 4NTO 1PW 4.2328
52 4G86 BNT 4.2328
53 2AWN ADP 4.2328
54 5AJU RP5 4.2328
55 3KCC CMP 4.2328
56 3PMA SCR 4.2328
57 4U00 ADP 4.2328
58 3NHB ADP 4.2328
59 1JJ7 ADP 4.2328
60 3U1T MLI 4.2328
61 5C9P FUC 4.2328
62 5TV6 PML 4.2328
63 2CFC KPC 4.2328
64 3Q3H UDP 4.2328
65 1R6N 434 4.2328
66 3CV2 COA 4.2328
67 3QFU ADP 4.2328
68 2D7I UDP 4.2328
69 1YBU APC 4.34783
70 4AKB GAL 4.51128
71 5ZBL AMP 4.7619
72 3GQT UFO 4.7619
73 1XX6 ADP 4.7619
74 2KIN ADP 4.7619
75 5W75 SUC 4.7619
76 1TZJ A3B 4.7619
77 6ACS CIT 4.7619
78 6BK3 UDP 4.7619
79 1NLM UD1 4.7619
80 5URY PAM 4.79452
81 2HT6 GDP 5.17241
82 1FWV SGA MAG FUC 5.22388
83 5AHO TLA 5.29101
84 3TDC 0EU 5.29101
85 1EJH M7G 5.29101
86 6F5W KG1 5.29101
87 3W68 4PT 5.29101
88 2VZ6 FEF 5.29101
89 2FT0 ACO 5.29101
90 3EB9 FLC 5.29101
91 3I7S PYR 5.29101
92 4HA9 NDP 5.82011
93 3HWW AKG 5.82011
94 4YJ1 ADP 5.82011
95 4PPF FLC 5.82011
96 5HWK BEZ 5.82011
97 5OBU ANP 5.82011
98 5LW0 AR6 5.82011
99 4WBD CIT 6.34921
100 2PZE ATP 6.34921
101 2ACV UDP 6.34921
102 1C3X 8IG 6.34921
103 5LY1 PPI 6.34921
104 2IYF UDP 6.34921
105 4KYK IMN 6.52174
106 1GXU 2HP 6.59341
107 5BXV MGP 6.81818
108 1RJW ETF 6.87831
109 5ODQ 9SB 6.87831
110 4DDY DN6 7.40741
111 2OBM ADP 7.40741
112 1LVW TYD 7.40741
113 5ZI9 FLC 7.40741
114 2J5B TYE 7.40741
115 3HGM ATP 7.48299
116 1HTW ADP 7.59494
117 5A96 GTP 7.93651
118 3EYK EYK 7.93651
119 1G6H ADP 7.93651
120 5IRN ADP 7.93651
121 1YQT ADP 8.46561
122 3WCS MAN NAG 8.46561
123 5YV5 ADP 8.46561
124 6CS8 F9Y 8.46561
125 5AR0 GB8 8.46561
126 2BS5 BGC GAL FUC 8.88889
127 3TAO PGH 8.99471
128 3H2K BOG 8.99471
129 5E5U MLI 9.52381
130 2NUN ADP 9.52381
131 3BOS CDP 9.52381
132 3GFS FMN 9.52381
133 1H5S TMP 10.0529
134 1T0S BML 10.582
135 1NJF ADP 10.582
136 1T9D P22 11.1111
137 5WKC TP9 11.1111
138 2EFX NFA 11.1111
139 4WZ6 ATP 11.6402
140 5Y4R C2E 11.7241
141 2J0B UDP 12.1693
142 5EXA 5SO 12.1693
143 1T5C ADP 12.6984
144 5OVK NDP 12.6984
145 2F2U M77 12.6984
146 5XLY C2E 12.782
147 4HEQ FMN 13.0137
148 3ANY 2A3 13.2275
149 3KC1 2T6 13.2275
150 4KVL PLM 13.7566
151 1GPJ CIT 14.8148
152 5FPE 3TR 15.3439
153 1HBK MYR 15.7303
154 3B9Q MLI 15.873
155 1J78 OLA 16.9312
156 2CE7 ADP 16.9312
157 5ZCO CHD 17.0213
158 3HBF UDP 17.9894
159 3ZUY TCH 17.9894
160 5T96 79J 19.0476
161 4WOE ADP 22.2222
162 1YBH P22 23.2804
163 1XF1 CIT 26.455
164 2VOH CIT 30.7692
165 4EIL NDP 48.6772
166 4EIL FOL 48.6772
Pocket No.: 4; Query (leader) PDB : 1DR1; Ligand: HBI; 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: 1dr1.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1DR1; Ligand: NAP; Similar sites found with APoc: 9
This union binding pocket(no: 5) in the query (biounit: 1dr1.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1WUW TSU None
2 2EB5 OXL 2.6455
3 2GTE VA 3.22581
4 5YRJ BGC GLC 3.52113
5 2B7N NTM 4.7619
6 4TQK NAG 6.34921
7 3C0G 3AM 6.34921
8 4YJK URA 7.93651
9 6G14 G4P 8.46561
Pocket No.: 6; Query (leader) PDB : 1DR1; Ligand: HBI; Similar sites found with APoc: 9
This union binding pocket(no: 6) in the query (biounit: 1dr1.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1WUW TSU None
2 2EB5 OXL 2.6455
3 2GTE VA 3.22581
4 5YRJ BGC GLC 3.52113
5 2B7N NTM 4.7619
6 4TQK NAG 6.34921
7 3C0G 3AM 6.34921
8 4YJK URA 7.93651
9 6G14 G4P 8.46561
APoc FAQ
Feedback