Structure of PDB 7u3i Chain B Binding Site BS01

Receptor Information
>7u3i Chain B (length=155) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGTEEYPTLTTF
FEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYADFDYEELKNGDY
VFMRWKEQFLVPDHTIGASFAGFYYICFQKSAASIEGYYYHRSSEWYQSL
NLTHV
Ligand information
Ligand IDL5X
InChIInChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyWAICHRCMCQSSEP-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH]1CN=C(Nc2cccc(O)c2)S1
ACDLabs 12.01CC1CN=C(Nc2cc(O)ccc2)S1
OpenEye OEToolkits 2.0.7CC1CN=C(S1)Nc2cccc(c2)O
OpenEye OEToolkits 2.0.7C[C@H]1CN=C(S1)Nc2cccc(c2)O
CACTVS 3.385C[C@H]1CN=C(Nc2cccc(O)c2)S1
FormulaC10 H12 N2 O S
Name3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol
ChEMBL
DrugBank
ZINCZINC000000333213
PDB chain7u3i Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7u3i Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
Resolution1.991 Å
Binding residue
(original residue number in PDB)		Q132 L171 T173 E237 S253 Y258 Y273
Binding residue
(residue number reindexed from 1)		Q9 L47 T49 E107 S119 Y124 Y139
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7u3i, PDBe:7u3i, PDBj:7u3i
PDBsum7u3i
PubMed36117290
UniProtQ8IVV7|GID4_HUMAN Glucose-induced degradation protein 4 homolog (Gene Name=GID4)

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