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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	C-C chemokine receptor type 5
Species	Mus musculus (Mouse)
Gene	Ccr5
Synonym	CKR5 CHEMR13 chemokine (C-C motif) receptor 5 (gene/pseudogene) CD195 CCR5 CCR-5 CC-CKR-5 CC CKR5 C-C CKR-5 MIP-1 alpha receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	354
Amino acid sequence	MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL
UniProt	P51682
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3676
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL112760
Molecular formula	C28H36BrN3O2
IUPAC name	[4-[4-[(E)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight	526.519
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.0
Synonyms	(E/Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone Methanone, (4-bromophenyl)[1'-(2,6-dimethylbenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-methyloxime, (E)- (4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-(2,6-dimethyl-phenyl)-methanone 4-[alpha-(Methoxyimino)-4-bromobenzyl]-4'-methyl-1'-(2,6-dimethylbenzoyl)-1,4'-bi(piperidine) [4-[4-[(E)-C-(4-bromophenyl)-N-methoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone AC1NUIOB (E)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone 4-[alpha-[(Z)-Methoxyimino]-4-bromobenzyl]-4'-methyl-1'-(2,6-dimethylbenzoyl)-1,4'-bi(piperidine) [4-[4-[(E)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone BDBM50104929 [ Show all ]
Inchi Key	VCJCJIKWNXQAAJ-BXVZCJGGSA-N
Inchi ID	InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26-
PubChem CID	5479845
ChEMBL	CHEMBL112760
IUPHAR	N/A
BindingDB	50104929
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	25.0 nM	PMID12086500	BindingDB,ChEMBL

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