Structure of PDB 7d4p Chain A Binding Site BS01

Receptor Information
>7d4p Chain A (length=669) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIPLQIVRAETELSAEEKAFLNAVEKGDYATVKQALQEAEIYYNVNINCM
DPLGRSALLIAIENENLEIMELLLNHSVYVGDALLYAIRKEVVGAVELLL
SYTQFSEFTPDITPIMLAAHTNNYEIIKLLVQKRVTIPRPHQIRCNCVEC
VSSSEVDSLRHSRSRLNIYKALASPSLIALSSEDPILTAFRLGWELKELS
KVENEFKAEYEELSQQCKLFAKDLLDQARSSRELEIILNHRDDLAKLKVA
IKYHQKEFVAQPNCQQLLATLWYDGFPGWRRKHWVVKLLTCMTIGFLFPM
LSIAYLISPRSNLGLFIKKPFIKFICHTASYLTFLFMLLLASQDLHVQGP
PPTVVEWMILPWVLGFIWGEIKEMWDGGFTEYIHDWWNLMDFAMNSLYLA
TISLKIVAYVKYNGSRPREEWEMWHPTLIAEALFAISNILSSLRLISLFT
ANSHLGPLQISLGRMLLDILKFLFIYCLVLLAFANGLNQLYFYYETRAID
EPNNCKGIRCEKQNNAFSTLFETLQSLFWSVFGLLNLYVTNVKARHEFTE
FVGATMFGTYNVISLVVLLNMLIAMMNNSYQLIADHADIEWKFARTKLWM
SYFDEGGTLPPPFNIISLIQNQHYQEVIRNLVKRYVAAMIRNSKTTEENF
KELKQDISSFRYEVLDLLG
Ligand information
Ligand IDGX0
InChIInChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
InChIKeyCJXAEXPPLWQRFR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4
CACTVS 3.385Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1
FormulaC19 H20 Cl N3
Name1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;
Clemizole
ChEMBLCHEMBL1407943
DrugBankDB15932
ZINCZINC000000057260
PDB chain7d4p Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7d4p Structural basis for human TRPC5 channel inhibition by two distinct inhibitors.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y374 F414 G417 D439 M442 N443 Y446 R492 L496 P659
Binding residue
(residue number reindexed from 1)		Y331 F366 G369 D391 M394 N395 Y398 R444 L448 P611
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005262 calcium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7d4p, PDBe:7d4p, PDBj:7d4p
PDBsum7d4p
PubMed33683200
UniProtQ9UL62|TRPC5_HUMAN Short transient receptor potential channel 5 (Gene Name=TRPC5)

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