Receptor
PDB id Resolution Class Description Source Keywords
2W3L 2.1 Å NON-ENZYME: CELL_CYCLE CRYSTAL STRUCTURE OF CHIMAERIC BCL2-XL AND PHENYL TETRAHYDROISOQUINOLINE AMIDE COMPLEX HOMO SAPIENS APOPTOSIS
Ref.: TETRAHYDROISOQUINOLINE AMIDE SUBSTITUTED PHENYL PYR SELECTIVE BCL-2 INHIBITORS. BIOORG.MED.CHEM.LETT. V. 19 230 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DRO A:1166;
B:1164;
Valid;
Valid;
none;
none;
submit data
576.087 C34 H30 Cl N5 O2 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W3L 2.1 Å NON-ENZYME: CELL_CYCLE CRYSTAL STRUCTURE OF CHIMAERIC BCL2-XL AND PHENYL TETRAHYDROISOQUINOLINE AMIDE COMPLEX HOMO SAPIENS APOPTOSIS
Ref.: TETRAHYDROISOQUINOLINE AMIDE SUBSTITUTED PHENYL PYR SELECTIVE BCL-2 INHIBITORS. BIOORG.MED.CHEM.LETT. V. 19 230 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 2W3L - DRO C34 H30 Cl N5 O2 Cc1c(c(nn1....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4EHR ic50 = 0.013 uM 0Q5 C36 H44 N4 O5 S Si CCCCc1c(c(....
2 3ZLN Kd = 3.4 nM H0Y C23 H18 N4 O2 S c1ccc2c(c1....
3 3ZK6 Kd = 0.46 uM H1I C31 H30 N4 O4 S2 C/C(=NNc1n....
4 3QKD ic50 = 3 nM HI0 C43 H45 Cl N8 O4 S2 CN(C)CC[C@....
5 2W3L - DRO C34 H30 Cl N5 O2 Cc1c(c(nn1....
6 4TUH - 38H C35 H28 N8 O4 S2 c1ccc2c(c1....
7 4C5D ic50 = 13 uM X0R C29 H25 Br F2 N2 O4 S CCCN(C(=O)....
8 3ZLR Kd = 0.6 nM X0B C31 H29 N5 O3 S2 c1ccc2c(c1....
9 4IEH Kd = 14 nM 1E9 C42 H44 Cl N7 O6 S3 CN(C)CC[C@....
10 4MAN - 1Y1 C48 H52 Cl N7 O8 S CN(C)CCOc1....
11 4AQ3 ic50 = 37 nM 398 C40 H41 Cl I N5 O5 S CCCCN(CCCC....
12 4LVT - 1XJ C47 H55 Cl F3 N5 O6 S3 CC1(CCC(=C....
13 4LXD - 1XV C34 H38 Cl N5 O7 S c1cc(ccc1C....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3WIZ ic50 = 0.0044 uM LC6 C47 H46 N6 O8 S2 Cc1cc(ccc1....
2 2YXJ ic50 = 9 nM N3C C42 H45 Cl N6 O5 S2 CN(C)CC[C@....
3 4EHR ic50 = 0.013 uM 0Q5 C36 H44 N4 O5 S Si CCCCc1c(c(....
4 3ZLN Kd = 3.4 nM H0Y C23 H18 N4 O2 S c1ccc2c(c1....
5 3SPF Ki = 138 uM B50 C29 H37 Cl N4 O3 CN1CCN(CC1....
6 3ZK6 Kd = 0.46 uM H1I C31 H30 N4 O4 S2 C/C(=NNc1n....
7 3QKD ic50 = 3 nM HI0 C43 H45 Cl N8 O4 S2 CN(C)CC[C@....
8 4QVX Ki < 0.01 nM 3CQ C35 H32 F N5 O4 S2 CN(C)CC#Cc....
9 2W3L - DRO C34 H30 Cl N5 O2 Cc1c(c(nn1....
10 4C52 ic50 = 22 uM X0D C26 H28 F2 N2 O4 S CCCN(C(=O)....
11 4TUH - 38H C35 H28 N8 O4 S2 c1ccc2c(c1....
12 4C5D ic50 = 13 uM X0R C29 H25 Br F2 N2 O4 S CCCN(C(=O)....
13 3ZLR Kd = 0.6 nM X0B C31 H29 N5 O3 S2 c1ccc2c(c1....
14 4IEH Kd = 14 nM 1E9 C42 H44 Cl N7 O6 S3 CN(C)CC[C@....
15 4MAN - 1Y1 C48 H52 Cl N7 O8 S CN(C)CCOc1....
16 4AQ3 ic50 = 37 nM 398 C40 H41 Cl I N5 O5 S CCCCN(CCCC....
17 4LVT - 1XJ C47 H55 Cl F3 N5 O6 S3 CC1(CCC(=C....
18 4LXD - 1XV C34 H38 Cl N5 O7 S c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DRO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DRO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W3L; Ligand: DRO; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 2w3l.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IXH OTP 0.0497 0.40869 None
2 4MG7 27H 0.02372 0.40259 None
3 2PRG BRL 0.02119 0.4041 2.08333
4 5JE0 SAH 0.04991 0.40209 2.77778
5 5JE0 AZ8 0.04991 0.40209 2.77778
6 5K7K 6RJ 0.00695 0.4421 3.47222
7 5MW4 5JU 0.02224 0.42385 3.47222
8 1ZOA 140 0.03032 0.41598 3.47222
9 4TSM MTT 0.02651 0.40525 3.47222
10 5C1M 4VO 0.01558 0.40402 3.47222
11 4UY1 TJM 0.01451 0.40614 3.81679
12 5B0W 22B 0.02335 0.42008 4.16667
13 4IRL MTT 0.01189 0.41734 4.16667
14 4QVH MAL 0.008403 0.41636 4.16667
15 5KOR GDP 0.01718 0.41251 4.16667
16 5CSD ACD 0.03923 0.41157 4.16667
17 3OLL EST 0.01733 0.40774 4.16667
18 3HX3 RET 0.02626 0.40044 4.16667
19 1BGQ RDC 0.01485 0.42469 4.86111
20 5CFV MAL 0.01306 0.41514 4.86111
21 4XRZ SI6 0.0162 0.41432 4.86111
22 5EPO TUD 0.0187 0.40585 4.86111
23 4LSJ LSJ 0.01231 0.42169 5.55556
24 4P6X HCY 0.01212 0.42011 5.55556
25 5H7N MTT 0.01068 0.41972 5.55556
26 5N87 N66 0.03765 0.41083 5.55556
27 5B4B LP5 0.03936 0.40424 5.55556
28 4EO3 FMN 0.03024 0.4014 5.55556
29 5KBF CMP 0.02123 0.40086 5.55556
30 4H07 IPH 0.0345 0.40721 6.25
31 2O7B HC4 0.01983 0.40098 6.25
32 4OMJ 2TX 0.005803 0.45414 6.94444
33 5AZA MAL 0.01088 0.41066 6.94444
34 1GZF NAD 0.03026 0.40103 6.94444
35 3DTU DXC 0.00414 0.42941 7.63889
36 5JO1 6LM 0.0264 0.40271 7.63889
37 1O5R FR9 0.04945 0.40054 7.63889
38 5F1R 42O 0.00747 0.43922 8.33333
39 5HZ7 MLR 0.008632 0.4228 8.33333
40 5TTD MLR 0.009643 0.42204 8.33333
41 4XR8 MAL 0.006358 0.42005 8.33333
42 3PGF GLC GLC 0.00673 0.41864 8.33333
43 1Y4C GLC GLC 0.007019 0.4181 8.33333
44 4KYC MAL 0.00988 0.41534 8.33333
45 4YS9 MAL 0.009356 0.41411 8.33333
46 2BJU IH4 0.03784 0.40391 8.33333
47 3DCM SAM 0.01824 0.41268 9.02778
48 3C4M MAL 0.01054 0.41149 9.72222
49 5C9J STE 0.009936 0.42466 11.1111
50 5IR4 ZPE 0.03555 0.41907 11.8056
51 5ECP JAA 0.04609 0.40884 11.8056
52 5ECP MET 0.04609 0.40884 11.8056
53 5ECP ATP 0.04778 0.40884 11.8056
54 1QV1 CZH 0.03413 0.40743 15.2778
55 5BV6 35G 0.01665 0.41024 15.9722
56 2DYR PGV 0.04622 0.40735 19.4444
57 3SJH LAR 0.02217 0.41823 20.8333
58 5X8Q 82R 0.03322 0.40002 27.7778
59 5IF4 6AK 0.00005287 0.55535 40.9722
60 5MES 7LT 0.0008565 0.46925 40.9722
61 4POJ 2VP 0.02123 0.41226 46.1538
Pocket No.: 2; Query (leader) PDB : 2W3L; Ligand: DRO; Similar sites found: 502
This union binding pocket(no: 2) in the query (biounit: 2w3l.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WCV FUC 0.0003189 0.48973 None
2 3L1N PLM 0.0008473 0.48465 None
3 3K3K A8S 0.00114 0.48029 None
4 1YWQ FMN 0.001108 0.47437 None
5 4AIG FLX 0.0008507 0.47223 None
6 3K9W 4PS 0.02318 0.46542 None
7 3K9W ADE 0.02318 0.46542 None
8 2YDW WSH 0.001894 0.45542 None
9 1IM8 SAI 0.003899 0.45533 None
10 1Y2W NAG 0.001674 0.44545 None
11 3GF2 SAL 0.001525 0.43933 None
12 2VPR TDC 0.006495 0.43643 None
13 4B8V NDG NAG NAG NAG 0.01341 0.43575 None
14 1NN5 2DT 0.01939 0.43125 None
15 1NN5 ANP 0.01939 0.43125 None
16 1AX2 NDG GAL 0.006495 0.42413 None
17 4BT5 23B 0.008766 0.42064 None
18 1TU3 GNP 0.02574 0.41967 None
19 1X92 M7P 0.01167 0.4195 None
20 1VQ2 DDN 0.01598 0.419 None
21 2AG8 NAP 0.02141 0.41785 None
22 1TB4 PEJ 0.03831 0.41561 None
23 1OGD RIP 0.01078 0.41363 None
24 3SCH TB6 0.008342 0.41283 None
25 2P8O BVA 0.02422 0.40995 None
26 1B55 4IP 0.02121 0.40892 None
27 3WCS MAN NAG GAL 0.01998 0.40578 None
28 3D3W NAP 0.003793 0.46968 1.38889
29 1PR9 NAP 0.004257 0.46956 1.38889
30 1D6H COA 0.01422 0.45174 1.38889
31 3QP6 HL6 0.00665 0.43375 1.38889
32 2EI4 22B 0.01233 0.45468 1.97628
33 2Q1S NAI 0.0007293 0.52175 2.08333
34 4NAT 2W5 0.0005724 0.52065 2.08333
35 4NAT ADP 0.002841 0.5129 2.08333
36 1RKD RIB 0.001495 0.49222 2.08333
37 1RKD ADP 0.001495 0.49222 2.08333
38 1C0I FAD 0.007926 0.46733 2.08333
39 1C0I BE2 0.007926 0.46733 2.08333
40 4IAE 1DX 0.0103 0.46398 2.08333
41 1BDB NAD 0.02118 0.45853 2.08333
42 3BW2 FMN 0.00713 0.45403 2.08333
43 1UOU CMU 0.003225 0.44919 2.08333
44 1NF8 ISC 0.003718 0.44377 2.08333
45 3DNT ATP 0.01038 0.43707 2.08333
46 2D37 NAD 0.01546 0.43388 2.08333
47 2D37 FMN 0.01457 0.43388 2.08333
48 2OI2 DP6 0.008092 0.42729 2.08333
49 3LIH RAF 0.02008 0.41587 2.08333
50 1E2S CSN 0.01584 0.41518 2.08333
51 3FC2 IBI 0.04766 0.41055 2.08333
52 3SVL FMN 0.024 0.41015 2.08333
53 3MMR ABH 0.04566 0.40667 2.08333
54 2FQO HYI 0.04465 0.40584 2.08333
55 5YAS FAC 0.02068 0.40505 2.08333
56 2X2T GAL NGA 0.008376 0.40134 2.08333
57 3NCQ ATP 0.01274 0.42932 2.52101
58 3L0E G58 0.0009674 0.49474 2.77778
59 3P0K FAD 0.002216 0.46955 2.77778
60 1UBY DMA 0.001809 0.46609 2.77778
61 2ZI8 SDT 0.006347 0.45535 2.77778
62 1X8X TYR 0.003021 0.44561 2.77778
63 2QXX TTP 0.01517 0.44256 2.77778
64 3GEG NAD 0.01307 0.43767 2.77778
65 1HEX NAD 0.02797 0.42041 2.77778
66 4LXH C1E 0.02161 0.41244 2.77778
67 1HQL GLA MBG 0.009165 0.40748 2.77778
68 2NZU BG6 0.01726 0.40383 2.77778
69 2PWY SAH 0.04888 0.4024 2.77778
70 1UAY ADN 0.02973 0.40164 2.77778
71 3QDW NDG 0.008538 0.40891 2.7972
72 3QDX CBS 0.01064 0.40448 2.7972
73 3QDV NDG 0.01316 0.4002 2.7972
74 1JYQ MAZ PTR PTM ASN 0.004884 0.48222 3.125
75 1H8G CHT 0.009335 0.41636 3.15789
76 1G0N PHH 0.003797 0.48098 3.47222
77 4INB 1F6 0.00148 0.4746 3.47222
78 2Q8H TF4 0.0002335 0.47139 3.47222
79 4LN7 1ZQ 0.001663 0.4679 3.47222
80 1Q3Q ANP 0.01015 0.46774 3.47222
81 3WBF API 0.005634 0.46314 3.47222
82 1XX4 BAM 0.0004133 0.46023 3.47222
83 3I6B KDO 0.001351 0.45661 3.47222
84 3Q2I HP7 0.01922 0.45625 3.47222
85 2G86 UMP 0.01963 0.44813 3.47222
86 4B4D FAD 0.005607 0.44736 3.47222
87 4W6Z 8ID 0.0135 0.44631 3.47222
88 4Q3R XA2 0.0105 0.43983 3.47222
89 1R18 SAH 0.01128 0.43364 3.47222
90 3QP4 HL0 0.007717 0.43273 3.47222
91 1C7S CBS 0.007986 0.42757 3.47222
92 4W6Z ETF 0.002545 0.42468 3.47222
93 1FS5 TLA 0.02397 0.42328 3.47222
94 4QN7 G39 0.03674 0.42194 3.47222
95 2P4Q FLC 0.005779 0.42029 3.47222
96 3LST SAH 0.01273 0.41987 3.47222
97 1LVL NAD 0.02069 0.4186 3.47222
98 4BAS GNP 0.02244 0.41681 3.47222
99 1KYZ FER 0.04188 0.41118 3.47222
100 1CBF SAH 0.02266 0.4095 3.47222
101 2P41 SAH 0.02706 0.40932 3.47222
102 1TUV VK3 0.00655 0.40617 3.50877
103 1UW1 ADP 0.009301 0.41377 3.75
104 1OGZ EQU 0.005999 0.43364 4
105 4QVH FLC 0.0001079 0.52543 4.16667
106 3ZS7 ATP 0.0002229 0.5201 4.16667
107 4DXJ 0M9 0.0001319 0.51135 4.16667
108 2F5T MAL 0.0005399 0.49442 4.16667
109 2YYJ FAD 0.006579 0.49196 4.16667
110 2YYJ 4HP 0.006579 0.49196 4.16667
111 1XHL NDP 0.002952 0.47669 4.16667
112 3GB5 FMN 0.001766 0.47075 4.16667
113 1ZUW DGL 0.000812 0.47027 4.16667
114 2VAR ANP 0.002323 0.46669 4.16667
115 3WO0 ADP 0.005876 0.4656 4.16667
116 3WO0 ALA 0.005876 0.4656 4.16667
117 4MP8 MLI 0.008576 0.4579 4.16667
118 4MP8 NAD 0.008576 0.4579 4.16667
119 3WD1 ST7 0.01176 0.45624 4.16667
120 3UST FAD 0.003099 0.45231 4.16667
121 4HA6 FAD 0.01671 0.44792 4.16667
122 2BNF UTP 0.01414 0.44724 4.16667
123 1UMP SQA 0.007657 0.4469 4.16667
124 1T8U UAP SGN IDS SGN 0.01438 0.44686 4.16667
125 1NOX FMN 0.005788 0.44486 4.16667
126 2VAR KDG 0.003667 0.44406 4.16667
127 4HZD COA 0.01867 0.43774 4.16667
128 1PX8 XYP 0.002938 0.43742 4.16667
129 3NYQ AMP 0.01806 0.43635 4.16667
130 3NYQ MCA 0.0172 0.43635 4.16667
131 2R85 AMP 0.03102 0.43521 4.16667
132 1U7Z PMT 0.023 0.43077 4.16667
133 2YHW BM3 0.02062 0.42983 4.16667
134 4I71 AGV 0.01075 0.42951 4.16667
135 2VJJ RAM GLC GAL NAG NAG GLC 0.04848 0.42664 4.16667
136 1H2B NAJ 0.02768 0.42648 4.16667
137 2BNE U5P 0.0289 0.42601 4.16667
138 1MOQ GLP 0.01296 0.42542 4.16667
139 3ZTV ADN 0.01284 0.41968 4.16667
140 1RYD NDP 0.04411 0.41957 4.16667
141 3PXP MYR 0.01609 0.41885 4.16667
142 2PTZ PAH 0.01555 0.41764 4.16667
143 2ZJ3 G6P 0.02317 0.41445 4.16667
144 1PFK ADP 0.01803 0.41444 4.16667
145 1JIL 485 0.02347 0.41417 4.16667
146 1B5E DCM 0.01216 0.41379 4.16667
147 2BGM MAX 0.0326 0.41296 4.16667
148 1Q7E MET 0.03695 0.41279 4.16667
149 1L2T ATP 0.0345 0.41027 4.16667
150 3M6W SAM 0.02249 0.40966 4.16667
151 2YCJ C2F 0.02312 0.40705 4.16667
152 1V2G OCA 0.02131 0.40668 4.16667
153 3CBG SAH 0.02998 0.40529 4.16667
154 1FDJ 2FP 0.0229 0.40514 4.16667
155 2VAR AMP 0.02248 0.40328 4.16667
156 1QS8 IVA VAL VAL STA ALA STA 0.04511 0.40277 4.16667
157 1B8U NAD 0.04523 0.40121 4.16667
158 2VAR KDF 0.02754 0.40119 4.16667
159 1T0I FMN 0.03953 0.40097 4.16667
160 1DL7 NCH 0.001869 0.45127 4.46429
161 4P3H 25G 0.003125 0.48845 4.86111
162 2OHV NHL 0.0005146 0.47977 4.86111
163 2E2R 2OH 0.003706 0.47395 4.86111
164 1JUV NDP 0.004582 0.45988 4.86111
165 2V7T SAH 0.02787 0.45855 4.86111
166 1ZK4 NAP 0.02403 0.45852 4.86111
167 1ZK4 AC0 0.02403 0.45852 4.86111
168 3RFV NAI 0.00563 0.45669 4.86111
169 4FR3 LYS ARG ARG LYS SEP VAL 0.0227 0.45626 4.86111
170 1NVU GTP 0.01752 0.45454 4.86111
171 1RYI GOA 0.01608 0.44882 4.86111
172 1TIW TFB 0.01471 0.44633 4.86111
173 1TIW FAD 0.01471 0.44633 4.86111
174 4GQB 0XU 0.02352 0.44599 4.86111
175 4LWA Q13 0.01801 0.44255 4.86111
176 2QA1 FAD 0.02183 0.4341 4.86111
177 4O8A FAD 0.02241 0.42911 4.86111
178 4LKK SIA GAL 0.01121 0.42859 4.86111
179 2VBQ BSJ 0.02703 0.42809 4.86111
180 4N4J HG1 0.03481 0.42746 4.86111
181 1WNG SAH 0.01357 0.42621 4.86111
182 1GSA ADP 0.01592 0.42601 4.86111
183 1I7L ATP 0.01839 0.42435 4.86111
184 3ZF8 GDP 0.008753 0.42322 4.86111
185 1WVG CXY 0.02007 0.42087 4.86111
186 1KC7 PPR 0.004812 0.42044 4.86111
187 3Q9T FAY 0.04443 0.42031 4.86111
188 1FBL HTA 0.01082 0.41874 4.86111
189 3NBK PNS 0.03478 0.41841 4.86111
190 4U9W COA 0.01721 0.41739 4.86111
191 1P72 ADP 0.03819 0.41682 4.86111
192 2B82 ADN 0.02644 0.41317 4.86111
193 4KQI NIO 0.047 0.412 4.86111
194 4KQI RBZ 0.047 0.412 4.86111
195 3AHC TPP 0.04509 0.41184 4.86111
196 3NJQ NJQ 0.03993 0.41102 4.86111
197 1KHT AMP 0.01425 0.41046 4.86111
198 2H6B 3C4 0.03897 0.41027 4.86111
199 1NNS ASP 0.01759 0.40848 4.86111
200 3FXU TSU 0.04234 0.40704 4.86111
201 1YFZ IMP 0.01486 0.40412 4.86111
202 4U9W SER GLY ARG GLY LYS NH2 0.01412 0.40367 4.86111
203 3NNF AKG 0.01398 0.40231 4.86111
204 1P72 THM 0.01897 0.40187 4.86111
205 1AUX AGS 0.03632 0.40109 4.86111
206 6FIV 3TL 0.02152 0.40859 5.30973
207 1Z45 NAD 0.002406 0.47868 5.55556
208 2IXB A2G 0.009308 0.45701 5.55556
209 2IXB NAD 0.006615 0.45701 5.55556
210 3UXL CFI 0.0136 0.45101 5.55556
211 1ZK7 FAD 0.01682 0.44945 5.55556
212 4AAW R84 0.02436 0.44217 5.55556
213 2DTX BMA 0.01886 0.44146 5.55556
214 1TDF FAD 0.02632 0.43955 5.55556
215 1TDF NAP 0.04526 0.43955 5.55556
216 3PC3 P1T 0.008378 0.43853 5.55556
217 3TDC 0EU 0.007021 0.43682 5.55556
218 1H6C NDP 0.026 0.43202 5.55556
219 3TN7 NJP 0.02408 0.42746 5.55556
220 1X54 4AD 0.02062 0.42326 5.55556
221 1LL2 UPG 0.01838 0.42122 5.55556
222 3H22 B53 0.009722 0.42101 5.55556
223 2GSD NAD 0.03859 0.42079 5.55556
224 3B20 NAD 0.02726 0.41838 5.55556
225 3SQG TP7 0.01571 0.41741 5.55556
226 2FMD MAN MAN 0.02101 0.4166 5.55556
227 3DAG FEG 0.03056 0.41579 5.55556
228 2JE7 XMM 0.03383 0.4148 5.55556
229 1A59 COA 0.03313 0.40487 5.55556
230 4AF0 MOA 0.04723 0.40456 5.55556
231 1Z45 UPG 0.035 0.40366 5.55556
232 1VJT NAD 0.03881 0.40304 5.55556
233 3MBG FAD 0.001366 0.4854 5.7554
234 4WNB 4BN 0.01768 0.4168 6.20155
235 3FC4 EDO 0.005897 0.48008 6.25
236 3JDW ORN 0.0009559 0.47752 6.25
237 1FP1 HCC 0.001532 0.47181 6.25
238 3QQA TCH 0.002209 0.46961 6.25
239 4C0X AQN 0.004488 0.46585 6.25
240 1DR1 NAP 0.007951 0.45965 6.25
241 1DR1 HBI 0.007951 0.45965 6.25
242 3W54 RNB 0.002003 0.45934 6.25
243 3UCJ AZM 0.002511 0.44674 6.25
244 4KQL 1SG 0.03349 0.44258 6.25
245 1KBI FMN 0.01022 0.44187 6.25
246 1KBI PYR 0.01022 0.44187 6.25
247 1D3V ABH 0.0111 0.43859 6.25
248 4R33 SAH 0.01747 0.43712 6.25
249 4R33 TRP 0.01747 0.43712 6.25
250 4OJ8 2TQ 0.01052 0.43518 6.25
251 3OND NAD 0.03325 0.43469 6.25
252 3OND ADN 0.03325 0.43469 6.25
253 1KBJ FMN 0.01641 0.42981 6.25
254 3GE7 AFQ 0.02485 0.42898 6.25
255 2Q2V NAD 0.02564 0.42825 6.25
256 3C1O NAP 0.01733 0.42715 6.25
257 3O7B SAH 0.012 0.42711 6.25
258 4OJ8 AKG 0.01318 0.42684 6.25
259 3PAK MAN 0.0128 0.42283 6.25
260 3MCT SAH 0.01831 0.42131 6.25
261 2PYU IMP 0.006851 0.42005 6.25
262 4AP9 1PS 0.01881 0.41904 6.25
263 1ITZ TPP 0.02394 0.41846 6.25
264 1NME 159 0.01387 0.41803 6.25
265 3BAZ NAP 0.0285 0.41737 6.25
266 3ZOD HQE 0.03296 0.41539 6.25
267 3ZOD FMN 0.03296 0.41539 6.25
268 4C0X FMN 0.03683 0.41286 6.25
269 2CFU 1DB 0.02689 0.4128 6.25
270 4P05 4NS 0.03048 0.41157 6.25
271 3MCT 3MC 0.01199 0.41141 6.25
272 4K7O EKZ 0.009075 0.40768 6.25
273 3SUC ATP 0.02686 0.40676 6.25
274 3U5S FAD 0.00259 0.4643 6.34921
275 3O55 FAD 0.001022 0.49187 6.4
276 2HJ3 FAD 0.006476 0.44419 6.4
277 3ZEI AWH 0.007519 0.45152 6.45161
278 2ALG DAO 0.0003931 0.5056 6.52174
279 2ALG HP6 0.0003931 0.5056 6.52174
280 2GJ3 FAD 0.0009412 0.4884 6.66667
281 1SC3 MLI 0.005906 0.41246 6.81818
282 2EWM NAD 0.001626 0.48895 6.94444
283 3O03 NAP 0.00338 0.46671 6.94444
284 2H8Z 8CM 0.004766 0.46183 6.94444
285 2H8Z FMN 0.004766 0.46183 6.94444
286 1V9N NDP 0.005831 0.46114 6.94444
287 1I2B NAD 0.01584 0.45698 6.94444
288 1I2B USQ 0.01584 0.45698 6.94444
289 1I2B UPG 0.01584 0.45698 6.94444
290 3DDC GNP 0.005596 0.45392 6.94444
291 1SNY NAP 0.008519 0.44596 6.94444
292 1C3V NDP 0.01078 0.44588 6.94444
293 2AE2 NAP 0.01933 0.44181 6.94444
294 2AE2 PTO 0.01933 0.44181 6.94444
295 2WUF KEM 0.008771 0.44082 6.94444
296 2YPO PHE 0.013 0.44037 6.94444
297 2HVW DDN 0.005821 0.43659 6.94444
298 3ICC NAP 0.01859 0.43456 6.94444
299 4DQ2 BTX 0.01751 0.43234 6.94444
300 2PT9 S4M 0.0148 0.43214 6.94444
301 4DA6 GA2 0.04445 0.43183 6.94444
302 2C7G FAD 0.04788 0.43065 6.94444
303 1VBH PEP 0.004437 0.42896 6.94444
304 2OWZ CIT 0.005187 0.42249 6.94444
305 1QS0 TDP 0.01722 0.42098 6.94444
306 2Q8M FBP 0.0137 0.42036 6.94444
307 2PT9 2MH 0.0411 0.41831 6.94444
308 1LYX PGA 0.01685 0.41385 6.94444
309 3U4C NDP 0.04036 0.41324 6.94444
310 3CKJ CIT 0.0407 0.41058 6.94444
311 2Q8M AMP 0.01868 0.40949 6.94444
312 1UZN NAP 0.02267 0.40949 6.94444
313 1FP2 HMO 0.02446 0.40784 6.94444
314 2NW9 FT6 0.01528 0.40354 6.94444
315 2HW1 ANP 0.04247 0.40262 6.94444
316 2H6T IVA VAL VAL STA ALA STA 0.03725 0.40053 6.94444
317 1Q3P GLU ALA GLN THR ARG LEU 0.02785 0.40502 7.33945
318 3MPI GRA 0.005936 0.47992 7.63889
319 3MPI FAD 0.007451 0.45901 7.63889
320 4E1N TQX 0.003748 0.45797 7.63889
321 1R27 MGD 0.009369 0.45479 7.63889
322 1UKW FAD 0.01003 0.45426 7.63889
323 3ZLM ANP 0.004832 0.44689 7.63889
324 1F5F DHT 0.005205 0.44328 7.63889
325 1R6W 164 0.005796 0.43888 7.63889
326 3E5P PPI 0.01015 0.43609 7.63889
327 2CKM AA7 0.02813 0.43384 7.63889
328 3B96 MYA 0.01016 0.43256 7.63889
329 4LCQ URQ 0.01749 0.43236 7.63889
330 2AMV BIN 0.04028 0.43151 7.63889
331 1Y4Z PCI 0.002939 0.43035 7.63889
332 3M0J OAF 0.02206 0.42947 7.63889
333 4UAL 3FV 0.01412 0.42168 7.63889
334 3KJI ADP 0.0137 0.42037 7.63889
335 4GYW UDP 0.03979 0.41697 7.63889
336 2DDH FAD 0.04235 0.41658 7.63889
337 1QPB TPP 0.03306 0.41532 7.63889
338 1QPB PYM 0.03306 0.41532 7.63889
339 1DSS NAD 0.0315 0.4151 7.63889
340 1YOE RIB 0.01161 0.41476 7.63889
341 1PDZ PGA 0.006665 0.41006 7.63889
342 4BI7 PGA 0.01457 0.41 7.63889
343 4PO2 ASN ARG LEU LEU LEU THR GLY 0.03681 0.40734 7.63889
344 3T1A 5MA 0.03508 0.40361 7.63889
345 1V1A KDG 0.04224 0.40195 7.63889
346 4B9E FAH 0.001887 0.40012 7.63889
347 1E4X VAL VAL SER HIS PHE ASN ASP 0.01109 0.42281 8.29493
348 4KCF AKM 0.0006211 0.49943 8.33333
349 1Q0H FOM 0.00388 0.48425 8.33333
350 1Q0H NDP 0.00418 0.48425 8.33333
351 1ZGA HMK 0.001012 0.4713 8.33333
352 3PNL ADP 0.002961 0.46316 8.33333
353 1QY1 PRZ 0.003493 0.45774 8.33333
354 4MZ7 DTP 0.006976 0.45453 8.33333
355 4MZ7 DGT 0.007465 0.45299 8.33333
356 4QED NAP 0.007854 0.45184 8.33333
357 3RKR NAP 0.004625 0.43665 8.33333
358 1V2X SAM 0.009331 0.43441 8.33333
359 3VKX T3 0.01159 0.43054 8.33333
360 1QF5 GDP 0.04742 0.42609 8.33333
361 1QF5 RPL 0.04742 0.42609 8.33333
362 1YBH CIE 0.01489 0.42054 8.33333
363 1EP2 ORO 0.03918 0.41943 8.33333
364 1ZGA SAH 0.01622 0.41468 8.33333
365 1EP2 FMN 0.0383 0.41323 8.33333
366 3PNA CMP 0.01358 0.41148 8.33333
367 3IL6 B83 0.02716 0.41095 8.33333
368 5H7Q MAL 0.00849 0.41079 8.33333
369 1OWB NAD 0.04981 0.41009 8.33333
370 4RJK PYR 0.0141 0.40737 8.33333
371 4KCF FMN 0.03375 0.40084 8.33333
372 3LM9 ADP 0.02823 0.40066 8.33333
373 1SB8 UD2 0.0007372 0.52913 9.02778
374 1SB8 NAD 0.0006319 0.52913 9.02778
375 2HFK E4H 0.0001099 0.50844 9.02778
376 2HGZ PBF 0.0005451 0.50414 9.02778
377 1EZV SMA 0.0009017 0.49631 9.02778
378 2R40 20E 0.0009395 0.49205 9.02778
379 1HDR NAD 0.006149 0.4759 9.02778
380 4OE4 NAD 0.004878 0.46331 9.02778
381 3S7O LBV 0.009679 0.44833 9.02778
382 4IS0 GDS 0.006037 0.44008 9.02778
383 3TKA CTN 0.003757 0.43895 9.02778
384 3PVT 3HC 0.02112 0.43689 9.02778
385 4HZO COA 0.004614 0.43121 9.02778
386 3BL6 FMC 0.01314 0.42512 9.02778
387 2HV8 GTP 0.02161 0.42221 9.02778
388 3IHB GLU 0.004698 0.42093 9.02778
389 4RNX FMN 0.01776 0.41943 9.02778
390 3R35 4CO 0.03485 0.41893 9.02778
391 2DUA OXL 0.02052 0.41713 9.02778
392 3S6T OAN 0.01914 0.41507 9.02778
393 4RNV FMN 0.03304 0.40224 9.02778
394 4RNV HBA 0.03445 0.40224 9.02778
395 3R51 MMA 0.008496 0.40106 9.02778
396 2OFD NGA 0.002849 0.43465 9.15493
397 1BTN I3P 0.003749 0.44525 9.43396
398 2XCG XCG 0.0005877 0.51061 9.72222
399 3GWT 066 0.001545 0.49011 9.72222
400 4IVG ANP 0.005085 0.48126 9.72222
401 1V35 NAI 0.004828 0.47534 9.72222
402 3CEV ARG 0.001525 0.45713 9.72222
403 2DWU DGL 0.002531 0.44658 9.72222
404 4AQL TXC 0.009949 0.42927 9.72222
405 1OAA OAA 0.03883 0.42782 9.72222
406 2J8Z NAP 0.02377 0.42537 9.72222
407 1DXY NAD 0.03077 0.41696 9.72222
408 4JP3 CIT 0.04206 0.41674 9.72222
409 1P9P SAH 0.02452 0.41642 9.72222
410 4BMO FMN 0.0309 0.41554 9.72222
411 2VQ5 HBA 0.01318 0.40015 9.72222
412 2BTO GTP 0.003616 0.47903 10.1852
413 3I28 34N 0.005728 0.4759 10.4167
414 1JQI FAD 0.003966 0.4747 10.4167
415 1M5B BN1 0.008412 0.47371 10.4167
416 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 0.002215 0.46956 10.4167
417 4PLG NAI 0.008709 0.45754 10.4167
418 4PLG OXM 0.008709 0.45754 10.4167
419 1JQI CAA 0.01549 0.42968 10.4167
420 1B9I PXG 0.01802 0.42481 10.4167
421 1YS4 NAP 0.01783 0.4235 10.4167
422 2VDJ HSE 0.003429 0.42326 10.4167
423 2WQF FMN 0.01066 0.42144 10.4167
424 1KOL NAD 0.03939 0.42129 10.4167
425 4F2Q QUS 0.01732 0.41326 10.4167
426 3W2W ATP 0.01861 0.40957 10.4167
427 1YHM AHD 0.01503 0.40388 10.4167
428 3A8U PLP 0.01623 0.4023 10.4167
429 3RO7 TDR 0.02849 0.41999 10.9434
430 3F3E LEU 0.003311 0.47999 11.1111
431 2XK9 XK9 0.003335 0.47637 11.1111
432 3PFG SAM 0.01059 0.45596 11.1111
433 3PFG TLO 0.01059 0.45596 11.1111
434 3WE0 FAD 0.03541 0.43004 11.1111
435 5CSM TRP 0.01103 0.41314 11.1111
436 1OIK C26 0.02263 0.40953 11.1111
437 4AF5 CIT 0.009934 0.40927 11.1111
438 1WUR 8DG 0.0199 0.42106 11.3636
439 4G28 0W8 0.02307 0.40034 11.7647
440 4W97 UCA 0.002417 0.47106 11.8056
441 2ZE3 AKG 0.001588 0.45002 11.8056
442 1VDC FAD 0.02056 0.44625 11.8056
443 3EYK EYK 0.002084 0.44101 11.8056
444 2B4Q NAP 0.01267 0.44096 11.8056
445 4AMV F6R 0.01216 0.42295 11.8056
446 1UJ5 5RP 0.01033 0.4221 11.8056
447 3PY5 AMP 0.02222 0.40992 11.8056
448 3HF3 FMN 0.002397 0.46782 12.5
449 2GDZ NAD 0.006808 0.45508 12.5
450 1F74 NAY 0.004538 0.44413 12.5
451 2ZX7 ZX7 0.02597 0.42514 12.5
452 3ZRR PXG 0.02318 0.41444 12.5
453 2IUW AKG 0.01762 0.40601 12.5
454 1NP0 NGT 0.01427 0.40188 12.5
455 3EE4 MYR 0.0001227 0.53109 13.1944
456 2AEB ABH 0.01782 0.43721 13.1944
457 2YC5 6BC 0.02266 0.43323 13.1944
458 4G87 UD1 0.04154 0.42817 13.1944
459 3NKS FAD 0.03246 0.4268 13.1944
460 3NKS ACJ 0.01134 0.42444 13.1944
461 1H9G COA MYR 0.03608 0.41333 13.1944
462 3S2Y FMN 0.0308 0.40283 13.1944
463 1BUC FAD 0.01251 0.44702 13.8889
464 4AT0 FAD 0.04256 0.42871 13.8889
465 1H16 COA 0.01723 0.42097 13.8889
466 2QS8 MET 0.04647 0.40755 13.8889
467 1NOW IFG 0.01486 0.40695 13.8889
468 2F7C CCU 0.01507 0.40383 13.8889
469 2YFT DQR 0.002196 0.45969 14.5833
470 2J07 HDF 0.01293 0.45814 14.5833
471 2J07 FAD 0.01293 0.45814 14.5833
472 3CQD ATP 0.01143 0.45121 14.5833
473 4O1M NAD 0.01524 0.43674 14.5833
474 4A6D SAM 0.02076 0.41687 14.5833
475 1QW9 KHP 0.01334 0.43446 15.2778
476 4DVE BTN 0.01884 0.40703 15.2778
477 1FIQ FAD 0.001868 0.48968 15.9722
478 4G1V FAD 0.01157 0.43907 15.9722
479 2YBQ SAH 0.01464 0.42455 15.9722
480 3ZY6 GFB 0.01836 0.42125 15.9722
481 2HEK GDP 0.02525 0.40081 15.9722
482 4NM5 ADP 0.02861 0.41297 16.6667
483 1G0V NAG 0.00009289 0.40877 16.6667
484 4NES UDP 0.02798 0.4068 16.6667
485 3V1U NAD 0.0009966 0.49244 17.3611
486 2QF7 COA 0.006577 0.43399 17.3611
487 3UIE ADX 0.01433 0.41734 17.3611
488 2QF7 AGS 0.03656 0.41303 17.3611
489 3V1U HXC 0.01923 0.4066 17.3611
490 2D0V PQQ 0.005553 0.44576 18.0556
491 2F59 INI 0.0005187 0.49528 18.75
492 4CS4 ANP 0.001811 0.49398 19.4444
493 4CS4 AXZ 0.0024 0.49372 19.4444
494 1Y7P RIP 0.004043 0.42755 20.8333
495 4G4S LDZ 0.02893 0.40607 20.8333
496 3VPD ANP 0.02316 0.41611 21.5278
497 4FWE FAD 0.002932 0.48901 22.2222
498 1YAG ATP 0.00482 0.4541 22.2222
499 1NW5 SAM 0.007674 0.43869 22.2222
500 2PFC PLM 0.01498 0.41419 22.2222
501 1NXJ TLA 0.003875 0.4486 22.4044
502 1NXJ GLV 0.01624 0.40772 22.4044
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