Structure of PDB 7fvn Chain A Binding Site BS01

Receptor Information
>7fvn 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 IDZPB
InChIInChI=1S/C13H19N3O2S/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18)
InChIKeyHUNNMXFWKHWRFU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)NC(=O)N1CCN(CC1)C(=O)c2sccc2
OpenEye OEToolkits 2.0.7CC(C)NC(=O)N1CCN(CC1)C(=O)c2cccs2
ACDLabs 12.01O=C(N1CCN(CC1)C(=O)NC(C)C)c1cccs1
FormulaC13 H19 N3 O2 S
NameN-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7fvn 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7fvn PanDDA analysis group deposition
Resolution1.15 Å
Binding residue
(original residue number in PDB)		P1340 Y1350 S1392 Y1395 T1396 I1403
Binding residue
(residue number reindexed from 1)		P26 Y36 S78 Y81 T82 I89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fvn, PDBe:7fvn, PDBj:7fvn
PDBsum7fvn
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

[Back to BioLiP]