Structure of PDB 7fvp Chain A Binding Site BS01

Receptor Information
>7fvp 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 IDZQ0
InChIInChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-10-8-17(9-11-18)14(19)13-6-5-12(2)21-13/h5-6H,3-4,7-11H2,1-2H3,(H,16,20)
InChIKeyPXQNPAFJUFSQDI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2
ACDLabs 12.01Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)NCCCC
OpenEye OEToolkits 2.0.7CCCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)C
FormulaC15 H23 N3 O3
NameN-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7fvp 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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PDB7fvp PanDDA analysis group deposition
Resolution1.15 Å
Binding residue
(original residue number in PDB)		P1340 V1345 Y1350 S1392 T1396 I1403
Binding residue
(residue number reindexed from 1)		P26 V31 Y36 S78 T82 I89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fvp, PDBe:7fvp, PDBj:7fvp
PDBsum7fvp
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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