Receptor
PDB id Resolution Class Description Source Keywords
2YJD 1.93 Å NON-ENZYME: SIGNAL_HORMONE STAPLED PEPTIDE BOUND TO ESTROGEN RECEPTOR BETA HOMO SAPIENS HORMONE RECEPTOR-PEPTIDE COMPLEX
Ref.: DESIGN AND STRUCTURE OF STAPLED PEPTIDES BINDING TO ESTROGEN RECEPTORS. J.AM.CHEM.SOC. V. 133 9696 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
YJD A:1498;
B:1498;
Valid;
Valid;
none;
none;
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268.31 C16 H16 N2 O2 CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YJD 1.93 Å NON-ENZYME: SIGNAL_HORMONE STAPLED PEPTIDE BOUND TO ESTROGEN RECEPTOR BETA HOMO SAPIENS HORMONE RECEPTOR-PEPTIDE COMPLEX
Ref.: DESIGN AND STRUCTURE OF STAPLED PEPTIDES BINDING TO ESTROGEN RECEPTORS. J.AM.CHEM.SOC. V. 133 9696 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 2YJD - YJD C16 H16 N2 O2 CC(C)Oc1nc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 2YJD - YJD C16 H16 N2 O2 CC(C)Oc1nc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 2YJD - YJD C16 H16 N2 O2 CC(C)Oc1nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YJD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 YJD 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YJD; Ligand: YJD; Similar sites found: 135
This union binding pocket(no: 1) in the query (biounit: 2yjd.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CSD ACD 0.003612 0.44265 None
2 2ZFU SAH 0.004934 0.41778 None
3 2HJ3 FAD 0.005866 0.41436 None
4 3E85 BSU 0.02079 0.40901 None
5 3GWN FAD 0.008354 0.40561 None
6 4WG0 CHD 0.01377 0.40152 None
7 5V4R MGT 0.02386 0.40547 1.23457
8 2A1L PCW 0.003248 0.45233 2.08333
9 3GWT 066 0.02088 0.40153 2.08333
10 4B7P 9UN 0.002937 0.4564 2.17391
11 5UC9 MYR 0.02186 0.40198 2.21239
12 3WYJ H78 0.0217 0.42477 2.5
13 5B4B LP5 0.006503 0.42303 2.5
14 2ZCQ B65 0.0167 0.41737 2.5
15 3H78 BE2 0.01248 0.40969 2.5
16 2GBB CIT 0.01516 0.40343 2.5641
17 1QY8 RDI 0.001017 0.44037 2.60223
18 1N8V BDD 0.01011 0.40362 2.67857
19 5AZC PGT 0.03649 0.42003 2.91667
20 3G5D 1N1 0.03336 0.40933 2.91667
21 3KC1 2T6 0.00786 0.40496 2.91667
22 2P1C GG3 0.01869 0.4014 2.91667
23 3WUR O4B 0.01357 0.41163 2.92398
24 3EWK FAD 0.003043 0.42349 3.0837
25 4PSB GA3 0.01753 0.40744 3.22581
26 4V3I ASP LEU THR ARG PRO 0.01155 0.4207 3.33333
27 4PFC 2QX 0.01496 0.40195 3.33333
28 3JRS A8S 0.002174 0.42574 3.75
29 5UR1 YY9 0.03279 0.40111 3.75
30 5TO8 7FM 0.02932 0.40074 3.75
31 2IOR ADP 0.01696 0.40539 3.82979
32 4XB4 45D 0.004848 0.41987 3.94737
33 3RET SAL 0.009448 0.4011 3.9604
34 3RET PYR 0.009448 0.4011 3.9604
35 2JHP GUN 0.002783 0.44567 4.16667
36 5MW4 5JU 0.01426 0.41892 4.16667
37 5D59 78M 0.01782 0.41597 4.16667
38 3KDJ A8S 0.001761 0.43415 4.45545
39 3P9T TCL 0.01172 0.40464 4.56621
40 4F4P 0SB 0.0212 0.42142 5
41 3WCA FPS 0.01824 0.4019 5
42 3MBG FAD 0.01357 0.40393 5.03597
43 3GUZ PAF 0.0117 0.4108 5.11364
44 5JNN 6LM 0.004472 0.42316 5.26316
45 3KP6 SAL 0.003175 0.44178 5.29801
46 1YC4 43P 0.0002107 0.48177 5.30303
47 4URN NOV 0.01621 0.40638 5.33333
48 3F3E LEU 0.006797 0.43162 5.41667
49 5OCA 9QZ 0.003496 0.45963 5.55556
50 1OQC FAD 0.005945 0.41748 5.6
51 3NMV PYV 0.004529 0.4116 5.61798
52 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.004926 0.42263 5.71429
53 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.03081 0.40583 6
54 2D5Z L35 0.03277 0.42151 6.16438
55 2XXP DSL 0.03116 0.41895 6.25
56 5UI2 EQ3 0.01895 0.40582 6.25
57 4WQ2 3SU 0.001575 0.43419 6.35838
58 4LY9 S6P 0.007375 0.43666 6.66667
59 4LY9 1YY 0.007682 0.43666 6.66667
60 1YKD CMP 0.002741 0.42346 6.66667
61 5DEY 59T 0.02228 0.41677 6.66667
62 1OJ7 NZQ 0.01371 0.41477 6.66667
63 4M73 SAH 0.01782 0.41029 7.08333
64 2WCJ M21 0.00941 0.40669 7.0922
65 5MOB A8S 0.005732 0.4195 7.32759
66 1Y75 NAG 0.01593 0.40237 7.62712
67 1HN4 MJI 0.01443 0.4345 7.63359
68 4DS8 A8S 0.001502 0.4269 7.6555
69 1UVC STE 0.001868 0.44701 7.69231
70 3HP9 CF1 0.003817 0.44702 7.91667
71 4IGH 1EA 0.03135 0.4171 7.91667
72 4IGH ORO 0.03135 0.4171 7.91667
73 4IGH FMN 0.03135 0.4171 7.91667
74 4ZL4 4PK 0.01118 0.40785 7.91667
75 3G08 FEE 0.0235 0.41706 8.08081
76 3QUZ QUV 0.02671 0.4128 8.08081
77 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.01538 0.41128 8.08081
78 3SCM LGN 0.03457 0.40923 8.08081
79 1XVB 3BR 0.002232 0.40651 8.23529
80 4WGF HX2 0.002485 0.44599 8.29268
81 1TV5 N8E 0.001311 0.47378 8.33333
82 5JO1 6LM 0.002216 0.43167 8.64865
83 1ZOA 140 0.01363 0.41594 8.75
84 1JCM 137 0.006834 0.40573 8.75
85 2QZT PLM 0.009658 0.41361 9.00901
86 4MRP GSH 0.003197 0.44689 9.16667
87 1SBR VIB 0.001427 0.45951 9.5
88 1NP7 FAD 0.008567 0.41605 9.58333
89 3R9V DXC 0.0224 0.40184 9.58333
90 4OMJ 2TX 0.003327 0.44071 11.25
91 4OIC A8S 0.002087 0.42653 12.0833
92 4XIZ LPP 0.01066 0.41664 12.9412
93 1DB1 VDX 0.00008472 0.51639 13.75
94 4P3H 25G 0.01305 0.40017 13.9896
95 3UP3 XCA 0.01139 0.40447 14.5833
96 2Z6D FMN 0.008341 0.4038 16.1538
97 1M13 HYF 0.0002677 0.49119 20.4167
98 5X8Q 82R 0.01279 0.40058 22.9167
99 2XCM ADP 0.004621 0.40537 25
100 4DK7 0KS 0.000108 0.46785 25.4167
101 3GYT DL4 0.0006749 0.40843 25.4167
102 2RH1 CAU 0.006815 0.40579 26.25
103 3RUU 37G 0.000008625 0.55612 26.6376
104 5ICK FEZ 0.0003862 0.44559 26.6376
105 3DCT 064 0.000004086 0.47603 28.5714
106 1N83 CLR 0.00124 0.45048 30
107 3BQD DAY 0.0000001197 0.62723 33.75
108 2A3I C0R 0.00000000001981 0.70018 34.1667
109 5HCV 60R 0.00000000005933 0.69894 34.1667
110 1HG4 LPP 0.00001084 0.44609 35.8333
111 1G2N EPH 0.0002952 0.47733 35.9848
112 4IAE 1DX 0.02166 0.40191 38.4615
113 2LBD REA 0.0002597 0.48177 38.75
114 1XAP TTB 0.00008704 0.49512 39.1667
115 1FCZ 156 0.00009532 0.44083 39.5745
116 2DYR PGV 0.02134 0.40649 41.3043
117 1FBY REA 0.0000009659 0.59129 41.4226
118 1DKF OLA 0.0000001047 0.62578 42.4893
119 1DKF BMS 0.00002436 0.46974 42.4893
120 3OKI OKI 0.002269 0.40436 42.8571
121 1YMT DR9 0.00002956 0.53114 45
122 1YP0 PEF 0.000008013 0.48199 45.1883
123 3FS1 MYR 0.0000002591 0.59948 45.2174
124 4QJR PIZ 0.00001386 0.54252 46.1224
125 3H0A 9RA 0.0000002975 0.60336 46.1538
126 3KDU NKS 0.00004811 0.54663 46.1538
127 3G9E RO7 0.000037 0.53505 46.1538
128 3FEI CTM 0.0002372 0.48169 46.1538
129 3H0A D30 0.003711 0.43161 46.1538
130 3B1M KRC 0.002971 0.4278 46.1538
131 1ZDT PEF 0.00001981 0.53733 46.888
132 1YOK P6L 0.0000008883 0.61576 48.3333
133 1YUC EPH 0.00000459 0.56254 48.3333
134 5UNJ RJW 0.000002898 0.55306 48.3333
135 1ZDU P3A 0.00005299 0.43326 48.3333
Pocket No.: 2; Query (leader) PDB : 2YJD; Ligand: YJD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2yjd.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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