Structure of PDB 7u3h Chain A Binding Site BS01

Receptor Information
>7u3h Chain A (length=163) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTT
FFEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYANSDDFDYEELK
NGDYVFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHR
SSEWYQSLNLTHV
Ligand information
Ligand IDL6O
InChIInChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyQAZPKSKUOOWBMI-SSDOTTSWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1CN=C(S1)Nc2ccc(cc2)F
CACTVS 3.385C[CH]1CN=C(Nc2ccc(F)cc2)S1
CACTVS 3.385C[C@@H]1CN=C(Nc2ccc(F)cc2)S1
ACDLabs 12.01CC1CN=C(Nc2ccc(F)cc2)S1
OpenEye OEToolkits 2.0.7C[C@@H]1CN=C(S1)Nc2ccc(cc2)F
FormulaC10 H11 F N2 S
Name(5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
ChEMBL
DrugBank
ZINCZINC000006114288
PDB chain7u3h Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7u3h Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
Resolution1.798 Å
Binding residue
(original residue number in PDB)		L171 T173 E237 S253 Y258 Y273
Binding residue
(residue number reindexed from 1)		L48 T50 E111 S127 Y132 Y147
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7u3h, PDBe:7u3h, PDBj:7u3h
PDBsum7u3h
PubMed36117290
UniProtQ8IVV7|GID4_HUMAN Glucose-induced degradation protein 4 homolog (Gene Name=GID4)

[Back to BioLiP]