Receptor
PDB id Resolution Class Description Source Keywords
1ZHT 1.9 Å NON-ENZYME: BINDING STRUCTURE OF YEAST OXYSTEROL BINDING PROTEIN OSH4 IN COMPLEX WITH 7-HYDROXYCHOLESTEROL SACCHAROMYCES CEREVISIAE OXYSTEROL STEROL BINDING PROTEIN CHOLESTEROL LIPID BINDING PROTEIN
Ref.: STRUCTURAL MECHANISM FOR STEROL SENSING AND TRANSPORT BY OSBP-RELATED PROTEINS NATURE V. 437 154 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HCR A:1001;
Valid;
none;
submit data
402.653 C27 H46 O2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZHX 1.5 Å NON-ENZYME: BINDING STRUCTURE OF YEAST OXYSTEROL BINDING PROTEIN OSH4 IN COMPLEX WITH 25-HYDROXYCHOLESTEROL SACCHAROMYCES CEREVISIAE OXYSTEROLSTEROL BINDING PROTEIN LIPID BINDING PROTEIN
Ref.: STRUCTURAL MECHANISM FOR STEROL SENSING AND TRANSPORT BY OSBP-RELATED PROTEINS NATURE V. 437 154 2005
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1ZHW - HC2 C27 H46 O2 CC(C)CCC[C....
2 1ZHY Kd = 300 nM CLR C27 H46 O CC(C)CCC[C....
3 1ZHT - HCR C27 H46 O2 C[C@H](CCC....
4 4F4B - L39 C27 H41 I O3 C[C@H](CCC....
5 1ZHX Kd = 55 nM HC3 C27 H46 O2 C[C@H](CCC....
6 4FES - 0T9 C28 H44 O3 CC[C@H](C)....
7 1ZHZ - ERG C28 H44 O CC(C)[C@@H....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1ZHW - HC2 C27 H46 O2 CC(C)CCC[C....
2 1ZHY Kd = 300 nM CLR C27 H46 O CC(C)CCC[C....
3 1ZHT - HCR C27 H46 O2 C[C@H](CCC....
4 4F4B - L39 C27 H41 I O3 C[C@H](CCC....
5 1ZHX Kd = 55 nM HC3 C27 H46 O2 C[C@H](CCC....
6 4FES - 0T9 C28 H44 O3 CC[C@H](C)....
7 1ZHZ - ERG C28 H44 O CC(C)[C@@H....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1ZHW - HC2 C27 H46 O2 CC(C)CCC[C....
2 1ZHY Kd = 300 nM CLR C27 H46 O CC(C)CCC[C....
3 1ZHT - HCR C27 H46 O2 C[C@H](CCC....
4 4F4B - L39 C27 H41 I O3 C[C@H](CCC....
5 1ZHX Kd = 55 nM HC3 C27 H46 O2 C[C@H](CCC....
6 4FES - 0T9 C28 H44 O3 CC[C@H](C)....
7 1ZHZ - ERG C28 H44 O CC(C)[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HCR; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 5JK 1 1
2 HCR 1 1
3 CLR 0.573034 0.921053
4 HC3 0.453608 1
5 C3S 0.431373 0.614035
6 K2B 0.40404 0.794872
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZHX; Ligand: HC3; Similar sites found: 89
This union binding pocket(no: 1) in the query (biounit: 1zhx.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1N9L FMN 0.007436 0.40906 None
2 4I3G BGC 0.02525 0.40546 1.82648
3 1GP6 DH2 0.003826 0.40572 2.24719
4 1GP6 QUE 0.004412 0.40042 2.24719
5 5LUN OGA 0.02605 0.40886 2.27273
6 4YVN EBS 0.03311 0.40507 2.28311
7 4YMJ 4EJ 0.03733 0.40275 2.30263
8 4K7O EKZ 0.01588 0.42144 2.38095
9 5C3R HMU 0.004988 0.42414 2.62391
10 5C3R AKG 0.004988 0.42414 2.62391
11 3C0G 3AM 0.01192 0.4139 2.849
12 5SVV FMN 0.006051 0.4097 2.91971
13 3ZGJ RMN 0.01763 0.41781 2.96496
14 1Z03 OCH 0.02137 0.41341 2.96804
15 5FQK 6NT 0.005652 0.44641 2.97398
16 4H6B 10Y 0.00408 0.4411 3.07692
17 4H6B 10X 0.005407 0.43061 3.07692
18 3Q8G PEE 0.004494 0.4271 3.125
19 4FE2 AIR 0.02704 0.4001 3.13725
20 3UN3 G16 0.006599 0.4049 3.25815
21 5BU3 4W9 0.007072 0.40361 3.26087
22 1VJ7 GDP 0.02754 0.40759 3.56234
23 5L9B AKG 0.01776 0.41331 3.57143
24 5AOG IAC 0.0003771 0.41207 3.58306
25 5EPA AKG 0.03743 0.40051 3.58423
26 3AVR OGA 0.01892 0.41657 3.65297
27 5V1B 8UY 0.03325 0.40325 3.75
28 5FU3 BGC BGC BGC 0.009165 0.43569 3.77358
29 2HZQ STR 0.008955 0.43495 4.02299
30 2XMY CDK 0.002998 0.44077 4.02685
31 5OO5 UUA 0.001309 0.45107 4.03226
32 4P7X YCP 0.01163 0.40364 4.10959
33 1H8S AIC 0.01704 0.41423 4.3379
34 4N14 WR7 0.01819 0.40865 4.4586
35 4XBT 3ZQ 0.006899 0.41396 4.51613
36 4XBT FLC 0.007698 0.4118 4.51613
37 5FXD H7Y 0.007406 0.41616 4.56621
38 1XE7 GUN 0.003928 0.441 4.92611
39 3K3K A8S 0.004472 0.41542 5.21327
40 4CNO 9PY 0.02488 0.40991 5.55556
41 4OPC PGT 0.00821 0.44008 5.70776
42 4OPC FDA 0.007167 0.43982 5.70776
43 4R38 RBF 0.009922 0.40033 5.71429
44 5L7V GNL 0.03154 0.40446 5.93607
45 5JSP DQY 0.01917 0.41616 5.97015
46 5MOB A8S 0.01313 0.41582 6.03448
47 2Z6C FMN 0.005944 0.41339 6.20155
48 5WUU 7UU 0.02267 0.4128 6.47482
49 3RGA LSB 0.008006 0.41459 6.71378
50 3P7N FMN 0.009034 0.40211 6.97674
51 2ET1 GLV 0.0006991 0.4946 7.46269
52 1QY1 PRZ 0.004213 0.41322 7.47126
53 3VQ2 LP4 LP5 MYR DAO 0.007991 0.40776 7.63889
54 2HKA C3S 0.00583 0.41376 7.69231
55 5HA0 LTD 0.003954 0.4023 7.69231
56 3A6T 8OG 0.01166 0.40699 7.75194
57 4JH6 FCN 0.03149 0.4005 7.97101
58 1BHX ASP PHE GLU GLU ILE 0.006465 0.43116 8.16327
59 1DZK PRZ 0.002623 0.44134 8.28025
60 4IAW LIZ 0.02351 0.40705 8.51064
61 5FS0 5JC 0.004555 0.44352 8.53081
62 2OVD DAO 0.001344 0.47956 8.79121
63 1UPR 4IP 0.01233 0.42563 8.94309
64 4HIA FMN 0.001993 0.42529 9.09091
65 3N9O OGA 0.007764 0.43786 9.13242
66 3PUR 2HG 0.01624 0.42175 9.13242
67 5ML3 DL3 0.004748 0.41209 9.39597
68 3UVD MB3 0.01515 0.4201 9.67742
69 2G30 ALA ALA PHE 0.006287 0.43727 9.68992
70 5U98 1KX 0.02085 0.40088 10.101
71 2XG5 EC5 0.02112 0.41061 10.9827
72 2XG5 EC2 0.02112 0.41061 10.9827
73 3H7J PPY 0.00508 0.42773 11.1111
74 3T50 FMN 0.005066 0.41648 11.7188
75 5KBE IPH 0.007517 0.43725 11.7904
76 2YG2 S1P 0.004074 0.41719 12.2093
77 1I06 TZL 0.03687 0.40086 12.2222
78 2PR5 FMN 0.009436 0.40445 12.8788
79 1SN0 T44 0.01276 0.41247 14.6154
80 3BRN SRO 0.03384 0.40422 15.9236
81 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.005903 0.41352 15.9292
82 3N0Y APC 0.005784 0.40132 16.2011
83 4WUJ FMN 0.01039 0.40259 16.3265
84 5DW1 5GD 0.03008 0.40677 16.8142
85 2E27 AB0 0.01088 0.41584 17.4603
86 2AGC DAO 0.005957 0.43758 17.9012
87 5KEW 6SB 0.002489 0.46485 19.1489
88 5H2D ERG 0.0001706 0.44771 29.4253
89 5L9V OGA 0.02162 0.40498 31.5789
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