Structure of PDB 7fvg Chain A Binding Site BS01

Receptor Information
>7fvg 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 IDZNX
InChIInChI=1S/C18H21N3O4/c1-13-3-8-16(25-13)17(22)20-9-11-21(12-10-20)18(23)19-14-4-6-15(24-2)7-5-14/h3-8H,9-12H2,1-2H3,(H,19,23)
InChIKeyAAELWDSJMNFYDT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3)OC
ACDLabs 12.01Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(OC)cc1
CACTVS 3.385COc1ccc(NC(=O)N2CCN(CC2)C(=O)c3oc(C)cc3)cc1
FormulaC18 H21 N3 O4
NameN-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7fvg 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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PDB7fvg PanDDA analysis group deposition
Resolution1.15 Å
Binding residue
(original residue number in PDB)		P1340 P1344 V1345 Y1350 S1392 T1396 I1403
Binding residue
(residue number reindexed from 1)		P26 P30 V31 Y36 S78 T82 I89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fvg, PDBe:7fvg, PDBj:7fvg
PDBsum7fvg
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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