Structure of PDB 7fvk Chain A Binding Site BS01

Receptor Information
>7fvk Chain A (length=121) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFA
TVRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFF
EEHISSVLSDYKSALRFHKRN
Ligand information
Ligand IDZOU
InChIInChI=1S/C18H21N3O4/c1-13-5-6-15(24-2)14(12-13)19-18(23)21-9-7-20(8-10-21)17(22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,23)
InChIKeySUWVNQBVHZNJOQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(N1CCN(CC1)C(=O)Nc1cc(C)ccc1OC)c1ccco1
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)OC
CACTVS 3.385COc1ccc(C)cc1NC(=O)N2CCN(CC2)C(=O)c3occc3
FormulaC18 H21 N3 O4
Name4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7fvk 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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PDB7fvk PanDDA analysis group deposition
Resolution1.15 Å
Binding residue
(original residue number in PDB)		E1339 P1340 Y1350 S1392 T1396 I1403
Binding residue
(residue number reindexed from 1)		E25 P26 Y36 S78 T82 I89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fvk, PDBe:7fvk, PDBj:7fvk
PDBsum7fvk
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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