Structure of PDB 7fv7 Chain A Binding Site BS01

Receptor Information
>7fv7 Chain A (length=122) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFA
TVRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFF
EEHISSVLSDYKSALRFHKRNT
Ligand information
Ligand IDZL3
InChIInChI=1S/C14H21N3O3/c1-10(2)15-14(19)16-6-7-17(11(3)9-16)13(18)12-5-4-8-20-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,15,19)/t11-/m1/s1
InChIKeyVFOPSAKXHHWNTF-LLVKDONJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C
CACTVS 3.385CC(C)NC(=O)N1CCN([CH](C)C1)C(=O)c2occc2
CACTVS 3.385CC(C)NC(=O)N1CCN([C@@H](C)C1)C(=O)c2occc2
ACDLabs 12.01O=C(N1CCN(CC1C)C(=O)NC(C)C)c1ccco1
OpenEye OEToolkits 2.0.7C[C@H]1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C
FormulaC14 H21 N3 O3
Name(3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7fv7 Chain A Residue 1501 [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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PDB7fv7 PanDDA analysis group deposition
Resolution1.25 Å
Binding residue
(original residue number in PDB)		P1340 Q1343 Y1350 S1392 Y1395 I1403
Binding residue
(residue number reindexed from 1)		P26 Q29 Y36 S78 Y81 I89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fv7, PDBe:7fv7, PDBj:7fv7
PDBsum7fv7
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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