Structure of PDB 7s8c Chain D Binding Site BS01

Receptor Information
>7s8c Chain D (length=612) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESWAQSRDEQNLLQQKRIWESPLLLAAKDNDVQALNKLLKYEDCKVHQRG
AMGETALHIAALYDNLEAAMVLMEAAPELVFEPMTSELYEGQTALHIAVV
NQNMNLVRALLARRASVSARATGTAFRRSPCNLIYFGEHPLSFAACVNSE
EIVRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDRHG
DHLQPLDLVPNHQGLTPFKLAGVEGNTVMFQHLMQKRKHTQWTYGPLTST
LYDLTEIDSSGDEQSLLELIITTKKREARQILDQTPVKELVSLKWKRYGR
PYFCMLGAIYLLYIICFTMCCIYRPLKPRTNNRTSPRDNTLLQQKLLQEA
YMTPKDDIRLVGELVTVIGAIIILLVEVPDIFRMGVTRFFGQTILGGPFH
VLIITYAFMVLVTMVMRLISASGEVVPMSFALVLGWCNVMYFARGFQMLG
PFTIMIQKMIFGDLMRFCWLMAVVILGFASAFYIIFQTEDPEELGHFYDY
PMALFSTFELFLTIIDGPANYNVDLPFMYSITYAAFAIIATLLMLNLLIA
MMGDTHWRVAHERDELWRAQIVATTVMLERKLPRCLWPRSGICGREYGLG
DRWFLRVEDRQD
Ligand information
Ligand IDECL
InChIInChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1
InChIKeyLEZWWPYKPKIXLL-SFHVURJKSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Clc1ccc(CO[C@@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1
ACDLabs 12.01Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3
OpenEye OEToolkits 1.7.6c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl
OpenEye OEToolkits 1.7.6c1cc(ccc1CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl
CACTVS 3.370Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1
FormulaC18 H15 Cl3 N2 O
Name1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole;
R-Econazole
ChEMBLCHEMBL1232474
DrugBank
ZINCZINC000000643055
PDB chain7s8c Chain C Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7s8c Structural mechanisms of TRPV6 inhibition by ruthenium red and econazole.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		W495 L496
Binding residue
(residue number reindexed from 1)		W469 L470
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:0006816 calcium ion transport
GO:0055085 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:7s8c, PDBe:7s8c, PDBj:7s8c
PDBsum7s8c
PubMed34725357
UniProtQ9H1D0|TRPV6_HUMAN Transient receptor potential cation channel subfamily V member 6 (Gene Name=TRPV6)

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