Structure of PDB 7fvi Chain A Binding Site BS01

Receptor Information
>7fvi Chain A (length=120) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFA
TVRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFF
EEHISSVLSDYKSALRFHKR
Ligand information
Ligand IDZO5
InChIInChI=1S/C18H19N3O5/c22-17(15-2-1-9-24-15)20-5-7-21(8-6-20)18(23)19-11-13-3-4-14-16(10-13)26-12-25-14/h1-4,9-10H,5-8,11-12H2,(H,19,23)
InChIKeyOROHVINEJMFCOR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(NCc1ccc2OCOc2c1)N3CCN(CC3)C(=O)c4occc4
OpenEye OEToolkits 2.0.7c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc4c(c3)OCO4
ACDLabs 12.01O=C(N1CCN(CC1)C(=O)NCc1ccc2OCOc2c1)c1ccco1
FormulaC18 H19 N3 O5
NameN-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7fvi Chain A Residue 1901 [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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PDB7fvi PanDDA analysis group deposition
Resolution1.18 Å
Binding residue
(original residue number in PDB)		E1339 P1340 Q1343 V1345 Y1350 S1392 Y1395 T1396 I1403
Binding residue
(residue number reindexed from 1)		E25 P26 Q29 V31 Y36 S78 Y81 T82 I89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fvi, PDBe:7fvi, PDBj:7fvi
PDBsum7fvi
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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