Receptor
PDB id Resolution Class Description Source Keywords
5KZV 1.62 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE XENOPUS SMOOTHENED CYSTEINE-RICH DO IN COMPLEX WITH 20(S)-HYDROXYCHOLESTEROL XENOPUS LAEVIS HEDGEHOG SIGNALING GPCR CYSTEINE-RICH DOMAIN STEROL SIGNPROTEIN
Ref.: CELLULAR CHOLESTEROL DIRECTLY ACTIVATES SMOOTHENED HEDGEHOG SIGNALING. CELL V. 166 1176 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HCD A:400;
Valid;
none;
submit data
402.653 C27 H46 O2 CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KZV 1.62 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE XENOPUS SMOOTHENED CYSTEINE-RICH DO IN COMPLEX WITH 20(S)-HYDROXYCHOLESTEROL XENOPUS LAEVIS HEDGEHOG SIGNALING GPCR CYSTEINE-RICH DOMAIN STEROL SIGNPROTEIN
Ref.: CELLULAR CHOLESTEROL DIRECTLY ACTIVATES SMOOTHENED HEDGEHOG SIGNALING. CELL V. 166 1176 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5KZY - CY8 C27 H41 N O2 C[C@H]1C[C....
2 5KZV - HCD C27 H46 O2 CC(C)CCC[C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5KZY - CY8 C27 H41 N O2 C[C@H]1C[C....
2 5KZV - HCD C27 H46 O2 CC(C)CCC[C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5KZY - CY8 C27 H41 N O2 C[C@H]1C[C....
2 5KZV - HCD C27 H46 O2 CC(C)CCC[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HCD; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 HCD 1 1
2 HC2 1 1
3 2DC 0.682353 0.902439
4 HC3 0.595506 1
5 CLR 0.58427 0.921053
6 HC9 0.549451 0.973684
7 PLO 0.505747 0.846154
8 0T9 0.442308 0.809524
9 L39 0.438095 0.772727
10 AND 0.436782 0.846154
11 C3S 0.427184 0.614035
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KZV; Ligand: HCD; Similar sites found: 11
This union binding pocket(no: 1) in the query (biounit: 5kzv.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3G9E RO7 0.01622 0.42409 None
2 2O5L MNR 0.01289 0.4069 None
3 3T03 3T0 0.01691 0.40109 None
4 5KOD IAC 0.01908 0.40702 4.72441
5 4ORM FMN 0.01703 0.44511 5.51181
6 4ORM 2V6 0.01703 0.44511 5.51181
7 4ORM ORO 0.01703 0.44511 5.51181
8 1ZGS XMM 0.02149 0.40441 5.51181
9 2B4D COA 0.01472 0.40967 6.29921
10 4IA6 EIC 0.003025 0.43727 11.0236
11 5CQG 55C 0.005965 0.41414 11.0236
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