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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.
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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	1,10-phenanthroline-4,7-dicarbaldehyde
Molecular formula	C14H8N2O2
IUPAC name	1,10-phenanthroline-4,7-dicarbaldehyde
Molecular weight	236.23
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.4
Synonyms	1,10-Phenanthroline-4,7-dicarboxaldehyde SCHEMBL1088410 BDBM50401343 J-400085 130897-87-9 ZINC95558531 PHOX11 CHEMBL2205801 [ Show all ]
Inchi Key	HCJOBZLFARGFLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H8N2O2/c17-7-9-3-5-15-13-11(9)1-2-12-10(8-18)4-6-16-14(12)13/h1-8H
PubChem CID	14434082
ChEMBL	CHEMBL2205801
IUPHAR	N/A
BindingDB	50401343
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	10000.0 nM	PMID22957890	BindingDB,ChEMBL
FC	2.5 -	PMID22957890	ChEMBL
IC50	<1000000.0 nM	PMID22957890	BindingDB,ChEMBL
IC50	>1000000.0 nM	PMID22957890	ChEMBL
Ratio EC50	0.48 -	PMID22957890	ChEMBL

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