Structure of PDB 7b16 Chain C Binding Site BS01

Receptor Information
>7b16 Chain C (length=643) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSTQEKSYLSAVEKGDYASVKLALEEAEIYFKININCIDPLGRTALLIAI
ENENLEIIELLLSFNVYVGDALLHAIRKEVVGAVELLLNHQFSDFTPDIT
PIILAAHTNNYEIIKMLVQKGVSVPQPHEVVDSLRHSRSRLNIYKALASP
SLIALSSEDPFLTAFQLSWELQELSKVENEFKAEYEELSHQCKHFAKDLL
DQTRSSRELELILNFRNELARLKLAIKYRQKEFVAQPNCQQLLASRWYDE
RHWAGKLITCVFIGLMFPLLSLCYLVAPKSRYGLFIRKPFIKFICHTASY
LTFLFLLLLASQHIVNPDRQGPKPTTVEWMILPWVLGFIWTEIKQMWDGG
FQDYIHDWWNLMDFVMNSLYLATISLKIVAYVKYSGCKPRDTWEMWHPTL
VAEAVFAIANIFSSLRLISLFTANSHLGPLQISLGRMLLDILKFLFIYCL
VLLAFANGLNQLYFYYENSEGMTCKGIRCERQNNAFSTLFETLQSLFWSI
FGLISLYVTNVKADHKFTEFVGATMFGTYNVISLVVLLNMLIAMMNNSYQ
HIADHADIEWKFARTKLWMSYFEEGGTLPPPFNIAENVRLNHQYQEVLRN
LVKRYVAAMIRDAKTEEGLTEENFKELKQDISSFRYEVIGMMK
Ligand information
Ligand IDSKQ
InChIInChI=1S/C14H19ClN4O2/c15-13-11(8-16-17-14(13)21)18-6-7-19(12(20)9-18)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,17,21)
InChIKeyXKGWJQQBZFNYMZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2
OpenEye OEToolkits 2.0.7C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl
FormulaC14 H19 Cl N4 O2
Name5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one;
GFB-9289
ChEMBL
DrugBank
ZINC
PDB chain7b16 Chain C Residue 1002 [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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PDB7b16 Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		Y373 F413 D438 M441 N442 R491
Binding residue
(residue number reindexed from 1)		Y300 F338 D363 M366 N367 R416
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005262 calcium channel activity
GO:0015279 store-operated calcium channel activity
GO:0070679 inositol 1,4,5 trisphosphate binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006812 monoatomic cation transport
GO:0051480 regulation of cytosolic calcium ion concentration
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034703 cation channel complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7b16, PDBe:7b16, PDBj:7b16
PDBsum7b16
PubMed33236980
UniProtU3N7D8

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