Structure of PDB 7b0s Chain B Binding Site BS01

Receptor Information
>7b0s Chain B (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 IDS9Q
InChIInChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)
InChIKeyMITRKIWBJVJRAM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1ccccc1CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F
FormulaC16 H14 Cl F3 N4 O2
Name5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one
ChEMBLCHEMBL4530872
DrugBank
ZINC
PDB chain7b0s Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7b0s Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		H369 Y373 F413 D438 M441 N442 S488 R491 L495
Binding residue
(residue number reindexed from 1)		H296 Y300 F338 D363 M366 N367 S413 R416 L420
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:7b0s, PDBe:7b0s, PDBj:7b0s
PDBsum7b0s
PubMed33236980
UniProtU3N7D8

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