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GLASS

You can:

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	Homo sapiens (Human)
Gene	CCR5
Synonym	CD195 chemokine (C-C motif) receptor 5 (gene/pseudogene) CHEMR13 CCR5 CCR-5 CC-CKR-5 CC CKR5 HIV-1 fusion coreceptor C-C CKR-5 MIP-1 alpha receptor CKR5 [ Show all ]
Disease	Human immunodeficiency virus infection
Length	352
Amino acid sequence	MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
UniProt	P51681
Protein Data Bank	4mbs, 6aky, 6akx, 5uiw
GPCR-HGmod model	P51681
3D structure model	This structure is from PDB ID 4mbs.
BioLiP	BL0430746, BL0430745, BL0430742,BL0430744, BL0430741,BL0430743, BL0382816, BL0256313,BL0256315, BL0256312,BL0256314
Therapeutic Target Database	T72171
ChEMBL	CHEMBL274
IUPHAR	62
DrugBank	BE0000911

Ligand

Name	CHEMBL106247
Molecular formula	C27H35BrN2O
IUPAC name	[4-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight	483.494
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	6.3
Synonyms	1,4'-Bipiperidine, 4-[(4-bromophenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl- [4-(4-Bromo-benzyl)-4''-methyl-[1,4'']bipiperidinyl-1''-yl]-(2,6-dimethyl-phenyl)-methanone 4-(4-Bromobenzyl)-4'-methyl-1'-(2,6-dimethylbenzoyl)-1,4'-bi(piperidine) [4-[4-[(4-bromophenyl)methyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone AC1L9XDY 4-[(4-Bromophenyl)methyl]-1''-(2,6-dimethylbenzoyl)-4''-methyl-1,4''-bipiperidine [4-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone BDBM50104943 [ Show all ]
Inchi Key	ZVCMZXYHBQKEGX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H35BrN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3
PubChem CID	457875
ChEMBL	CHEMBL106247
IUPHAR	N/A
BindingDB	50104943
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	58.0 nM	PMID14521412	BindingDB,ChEMBL
Ki	66.0 nM	PMID11585437	BindingDB,ChEMBL

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