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BioLiP

Structure of PDB 8u17 Chain C Binding Site BS01

Receptor Information
>8u17 Chain C (length=54) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHKCKYCSKVFGTDSSLQIHLRSHTGERPFVCSVCGHRFTTKGNLKVHFH
RHPQ
Ligand information
Ligand IDY70
InChIInChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1
InChIKeyUVSMNLNDYGZFPF-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3=O)N
CACTVS 3.385Nc1cccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12
OpenEye OEToolkits 1.9.2c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O
CACTVS 3.385Nc1cccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12
OpenEye OEToolkits 1.9.2c1cc2c(c(c1)N)C(=O)N(C2=O)C3CCC(=O)NC3=O
FormulaC13 H11 N3 O4
NameS-Pomalidomide
ChEMBLCHEMBL2093113
DrugBank
ZINCZINC000003940470
PDB chain8u17 Chain A Residue 502 [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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PDB8u17 Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		V411 C412 V414 G416
Binding residue
(residue number reindexed from 1)		V31 C32 V34 G36
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8u17, PDBe:8u17, PDBj:8u17
PDBsum8u17
PubMed38086859
UniProtQ9UJQ4|SALL4_HUMAN Sal-like protein 4 (Gene Name=SALL4)

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