Structure of PDB 7uh9 Chain A Binding Site BS02

Receptor Information
>7uh9 Chain A (length=125) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSISTKELGKVMRMLGQ
NPTPEELQEMIDEVDEDGSGTVDFDEFLVMMVRSMKDDSKGKFKRPTLRR
VRISADAMMQALLGARAKGHHHHHH
Ligand information
Ligand IDWW9
InChIInChI=1S/C17H23ClN2O2S/c18-16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)20-13-5-3-1-2-4-12-19/h6-11,20H,1-5,12-13,19H2
InChIKeyYQJOLFJTZRVABX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12
ACDLabs 12.01NCCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl
OpenEye OEToolkits 2.0.7c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCCN
FormulaC17 H23 Cl N2 O2 S
NameN-(7-aminoheptyl)-5-chloronaphthalene-1-sulfonamide
ChEMBL
DrugBank
ZINC
PDB chain7uh9 Chain A Residue 201 [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]
PDB7uh9 Drugging the Sarcomere, a Delicate Balance: Position of N-Terminal Charge of the Inhibitor W7.
ResolutionN/A
Binding residue
(original residue number in PDB)		F27 L41 M45 M60 I61 E63 M80 D87 V146 I148 M153
Binding residue
(residue number reindexed from 1)		F27 L41 M45 M60 I61 E63 M80 D87 V101 I103 M108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0005861 troponin complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7uh9, PDBe:7uh9, PDBj:7uh9
PDBsum7uh9
PubMed35649123
UniProtP19429;
P63316|TNNC1_HUMAN Troponin C, slow skeletal and cardiac muscles (Gene Name=TNNC1)

[Back to BioLiP]