Structure of PDB 7fv9 Chain A Binding Site BS01

Receptor Information
>7fv9 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 IDZLC
InChIInChI=1S/C16H19N3O3S/c1-12-4-5-14(22-12)15(20)18-6-8-19(9-7-18)16(21)17-11-13-3-2-10-23-13/h2-5,10H,6-9,11H2,1H3,(H,17,21)
InChIKeyFSJIDIRPKORUPE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccs3
CACTVS 3.385Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3sccc3
ACDLabs 12.01O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1ccc(C)o1
FormulaC16 H19 N3 O3 S
Name4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7fv9 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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PDB7fv9 PanDDA analysis group deposition
Resolution1.17 Å
Binding residue
(original residue number in PDB)		E1339 P1340 Q1343 Y1350 S1392 Y1395 T1396 I1403
Binding residue
(residue number reindexed from 1)		E25 P26 Q29 Y36 S78 Y81 T82 I89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fv9, PDBe:7fv9, PDBj:7fv9
PDBsum7fv9
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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