-->
Receptor
PDB id Resolution Class Description Source Keywords
3BRN 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AM182 SEROTONIN COMPLEX ARGAS MONOLAKENSIS BETA BARREL LIPOCALIN LIGAND BINDING PROTEIN
Ref.: STRUCTURE, FUNCTION, AND EVOLUTION OF BIOGENIC AMIN PROTEINS IN SOFT TICKS. J.BIOL.CHEM. V. 283 18721 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SRO A:158;
B:158;
Valid;
Valid;
none;
none;
Kd < 2 nM
176.215 C10 H12 N2 O c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BRN 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AM182 SEROTONIN COMPLEX ARGAS MONOLAKENSIS BETA BARREL LIPOCALIN LIGAND BINDING PROTEIN
Ref.: STRUCTURE, FUNCTION, AND EVOLUTION OF BIOGENIC AMIN PROTEINS IN SOFT TICKS. J.BIOL.CHEM. V. 283 18721 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3BRN Kd < 2 nM SRO C10 H12 N2 O c1cc2c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3BRN Kd < 2 nM SRO C10 H12 N2 O c1cc2c(cc1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3BU1 Kd = 7.1 nM HSM C5 H9 N3 c1c(nc[nH]....
2 3BRN Kd < 2 nM SRO C10 H12 N2 O c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SRO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 SRO 1 1
2 ASE 0.581818 0.785714
3 TSS 0.48 0.823529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BRN; Ligand: SRO; Similar sites found with APoc: 133
This union binding pocket(no: 1) in the query (biounit: 3brn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3SAO NKN None
2 4PSB GA3 None
3 4B7P 9UN None
4 3L2B B4P None
5 3QP4 HL0 None
6 5GP0 GPP None
7 3E2M E2M None
8 1M7G ADX None
9 5HYR EST None
10 4P6X HCY None
11 3RGA LSB 1.27389
12 4I94 ANP 1.27389
13 5ML3 DL3 1.34228
14 1XG4 ICT 1.91083
15 6EOZ AKG 1.91083
16 6EOZ 58K 1.91083
17 2BJ4 OHT 1.91083
18 1IM8 SAI 1.91083
19 2X7J TPP 1.91083
20 1WUB OTP 2.54777
21 5HES 032 2.54777
22 3GM5 CIT 2.54777
23 5ZCT ANP 2.54777
24 5W10 CMP 2.54777
25 3I59 N6R 3.18471
26 1H5T DAU 3.18471
27 2WW4 ADP 3.18471
28 1OC7 MA3 3.18471
29 5AYE BMA BMA 3.18471
30 1OGX EQU 3.81679
31 1H4H XYP XYS XYP 3.82166
32 6GL8 F3Q 3.82166
33 4XF6 LIP 3.82166
34 4XF6 INS 3.82166
35 1A8R GTP 3.82166
36 4WW8 VD9 3.82166
37 5A5W GUO 3.82166
38 1UHK CZN 3.82166
39 4K38 SAM 3.82166
40 2CHN NGT 3.82166
41 5YZ2 AMP 4.16667
42 5EPO TUD 4.4586
43 2VPQ ANP 4.4586
44 5NW7 9C2 4.4586
45 2Q2V NAD 4.4586
46 2NVA PL2 4.4586
47 4BXF AKG 4.4586
48 3S5W ONH 4.4586
49 1YKD CMP 4.4586
50 1R5L VIV 4.4586
51 3EEB IHP 4.4586
52 1GEG NAD 4.4586
53 5X1M DHB 4.4586
54 3FS1 MYR 4.4586
55 4NWJ 3PG 5.09554
56 4Q9N NAI 5.09554
57 4GYI ADP 5.09554
58 4CCN OGA 5.09554
59 3ZO7 K6H 5.31915
60 1RM0 D6P 5.73248
61 1RM0 NAI 5.73248
62 1YQZ FAD 5.73248
63 3JRS A8S 5.73248
64 4L9Z OXL 5.73248
65 5ESO TDP 5.73248
66 5ESO ISC 5.73248
67 5HCV 60R 5.73248
68 3WSJ MK1 6.03448
69 2Z6D FMN 6.15385
70 3OJI PYV 6.36943
71 1PZX PLM 6.36943
72 4LA7 A1O 6.36943
73 1SR7 MOF 6.36943
74 4H69 10Y 6.36943
75 4Q0P 0MK 7.00637
76 6DAM PQQ 7.00637
77 2I6A 5I5 7.00637
78 1Y0G 8PP 7.00637
79 5HW4 SAM 7.00637
80 5ZM4 AKG 7.00637
81 5ZM4 9FU 7.00637
82 1TB3 FMN 7.00637
83 2HZY DHJ 7.64331
84 3MPB FRU 7.64331
85 4NNB OAA 7.64331
86 1DEK DGP 7.64331
87 4NG2 OHN 7.9646
88 3WW2 SF6 8.9172
89 4HK8 XYP XYP XYP XYP XYP XYP 8.9172
90 5UR6 8KM 8.9172
91 1T3Q MCN 8.9172
92 6B5G NAD 8.9172
93 4UHL VFV 8.9172
94 2Z3U CRR 8.9172
95 1E3W NAD 8.9172
96 3TTI KBI 8.9172
97 4L80 1VU 8.9172
98 4AZP A9M 9.42029
99 3WUC GLC GAL 9.48905
100 2PTR 2SA 9.55414
101 4WB7 ATP 9.55414
102 1NBU PH2 10.084
103 2VAR KDG 10.1911
104 2VAR KDF 10.1911
105 1C1L GAL BGC 10.219
106 2QL9 CIT 10.3093
107 2E56 MYR 10.4167
108 4QM9 CYS 10.828
109 4BCS BTN 11.2
110 5IXK 6EW 12.1019
111 2E2R 2OH 12.1019
112 5UWA 8ND 12.1019
113 5GM5 CBI 12.1019
114 5D48 L96 13.3758
115 2WA4 069 13.3758
116 3RI1 3RH 14.0127
117 1ZB6 GST 14.6497
118 1ZB6 DIN 14.6497
119 2ZBA ZBA 15.2866
120 3P7I P7I 15.9236
121 4WVO 3UZ 15.9236
122 3QWB NDP 16.5605
123 2R5V HHH 17.1975
124 2QS8 MET 17.1975
125 2IMP LAC 17.1975
126 1RM6 PCD 17.8344
127 4K3H 1OM 18.6441
128 1HG4 LPP 19.7133
129 3SCH TB6 19.7452
130 1IS3 LAT 20
131 5DQ8 FLF 21.0191
132 1FDQ HXA 30.5344
133 1QFT HSM 42.6752
Pocket No.: 2; Query (leader) PDB : 3BRN; Ligand: SRO; Similar sites found with APoc: 113
This union binding pocket(no: 2) in the query (biounit: 3brn.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4USF 6UI None
2 5WGD EST None
3 1AKY AP5 None
4 3T3C 017 None
5 5HZ9 5M8 None
6 2AMT GPP None
7 5T2Z 017 None
8 2UXI G50 None
9 5DXE EST None
10 2P7Q GG6 None
11 4YUS FMN 1.57068
12 2HK5 1BM 1.91083
13 2RDQ AKG 1.91083
14 4P6C RES 1.91083
15 5F2T PLM 1.91083
16 3T50 FMN 2.34375
17 2A8Y MTA 2.54777
18 1VYF OLA 2.96296
19 2QO4 CHD 3.1746
20 5Y72 DST 3.18471
21 4WNP 3RJ 3.18471
22 2Q7D ANP 3.18471
23 1QD1 FON 3.18471
24 5GMD AGS 3.18471
25 4WB6 ATP 3.18471
26 1I06 TZL 3.18471
27 6FE1 V14 3.82166
28 3CGB FAD 3.82166
29 5KD6 6C7 3.82166
30 3FW9 SLX 3.82166
31 1LN1 DLP 3.82166
32 1K27 MTM 3.82166
33 3RFA SAM 3.82166
34 4K37 SAM 3.82166
35 5G5W R8C 3.82166
36 5A89 ADP 3.84615
37 5E2N V14 4.4586
38 1GT4 UNA 4.4586
39 1RQH PYR 4.4586
40 3M3E GAL A2G NPO 4.4586
41 3P7N FMN 4.4586
42 2EAE FUC 4.4586
43 5ISY NAD 4.4586
44 5I35 ANP 4.4586
45 3THR C2F 4.4586
46 1DFO FFO 4.4586
47 1RZM PEP 5.09554
48 2GQS ADP 5.09554
49 4CC6 L5Y 5.09554
50 1NWW HPN 5.36913
51 1ERB ETR 5.73248
52 3PQB VGP 5.73248
53 5CEO 50D 5.73248
54 4AMV F6R 5.73248
55 1VJY 460 5.73248
56 3G6K FAD 6.16883
57 3G6K POP 6.16883
58 3STD MQ0 6.36943
59 2NLI LAC 6.36943
60 5F7J ADE 6.36943
61 5AA4 6X4 6.36943
62 5TZO 7V7 6.36943
63 4D9M 0JO 6.36943
64 1QIN GIP 7.00637
65 4QDC ASD 7.00637
66 2WSI FAD 7.00637
67 2ZYI STE 7.00637
68 1V97 MTE 7.00637
69 3OKI OKI 7.00637
70 4JP3 CIT 7.00637
71 4K33 ACP 7.00637
72 6COJ F8G 7.00637
73 2WCJ M21 7.0922
74 2X2M X2M 7.64331
75 1UU6 BGC BGC BGC BGC 7.64331
76 2VGD XYP XYP XYP FX3 7.64331
77 3TKI S25 8.28025
78 4P7X YCP 8.28025
79 4P7X AKG 8.28025
80 1XPK HMG 8.28025
81 4Y24 TD2 8.44156
82 1IIU RTL 8.9172
83 1SDW IYT 8.9172
84 4NJS G08 9.09091
85 5Y80 IRE 9.45946
86 1UNB PN1 9.55414
87 1UNB AKG 9.55414
88 2RHW C0E 9.55414
89 6EHH 2GE 9.55414
90 4DOO DAO 9.55414
91 4H6B 10Y 9.55414
92 4H6B 10X 9.55414
93 5HSS 650 9.55414
94 2YIP YIO 10.1449
95 6D61 4AA 10.1911
96 1SGJ OAA 10.1911
97 4D86 ADP 10.1911
98 4CPH LH4 10.2362
99 4R38 RBF 10.7143
100 1PVN MZP 10.828
101 3STK PLM 11.3636
102 1TD2 PXL 12.1019
103 3U7S 017 12.1212
104 6CAY ERG 12.426
105 5JSP DQY 12.7389
106 3RUG DB6 13.3758
107 5OO5 UUA 13.7097
108 3O0G 3O0 15.2866
109 2EWM NAD 15.9236
110 1ZHX HC3 15.9236
111 4I9A NCN 16.5605
112 1RE9 DSO 19.7452
113 3MVH WFE 28.6624
APoc FAQ
Feedback