Structure of PDB 7fvo Chain A Binding Site BS01

Receptor Information
>7fvo 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 IDZPL
InChIInChI=1S/C17H22N4O2S2/c1-12-13(2)25-15(19-12)5-6-18-17(23)21-9-7-20(8-10-21)16(22)14-4-3-11-24-14/h3-4,11H,5-10H2,1-2H3,(H,18,23)
InChIKeyCIRZRFXLJYMKSE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(c1cccs1)N1CCN(CC1)C(=O)NCCc1nc(C)c(C)s1
OpenEye OEToolkits 2.0.7Cc1c(sc(n1)CCNC(=O)N2CCN(CC2)C(=O)c3cccs3)C
CACTVS 3.385Cc1sc(CCNC(=O)N2CCN(CC2)C(=O)c3sccc3)nc1C
FormulaC17 H22 N4 O2 S2
NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7fvo 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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PDB7fvo PanDDA analysis group deposition
Resolution1.19 Å
Binding residue
(original residue number in PDB)		P1340 P1344 V1345 Y1350 S1392 Y1395 T1396 I1403
Binding residue
(residue number reindexed from 1)		P26 P30 V31 Y36 S78 Y81 T82 I89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fvo, PDBe:7fvo, PDBj:7fvo
PDBsum7fvo
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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