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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	C-X-C chemokine receptor type 4
Species	Homo sapiens (Human)
Gene	CXCR4
Synonym	LESTR LESTR {ECO:0000303\|PubMed:8276799} Stromal cell-derived factor 1 receptor LCR1 LAP-3 Leukocyte-derived seven transmembrane domain receptor Lipopolysaccharide-associated protein 3 LPS-associated protein 3 NPY3R NPYRL NPYY3R SDF-1 receptor HUMSTSR HSY3RR CD184 chemokine (C-X-C motif) receptor 4 Cmkar4 CXC-R4 CXCR-4 CXCR4 FB22 fusin HM89 [ Show all ]
Disease	N/A
Length	352
Amino acid sequence	MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
UniProt	P61073
Protein Data Bank	3oe9, 3oe8, 3oe6, 3odu
GPCR-HGmod model	P61073
3D structure model	This structure is from PDB ID 3oe9.
BioLiP	BL0187218, BL0187262,BL0187263, BL0187259,BL0187260,BL0187261, BL0187197,BL0187198
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2107
IUPHAR	71
DrugBank	BE0000919

Ligand

Name	1,4-benzenedimethanamine, 2,3,5,6-tetramethyl-
Molecular formula	C12H20N2
IUPAC name	[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine
Molecular weight	192.306
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.1
Synonyms	AKOS006328337 SCHEMBL1976327 2,3,5,6-Tetramethyl-1,4-benzenebis(methanamine) CTK8D7811 AC1Q545O Hexamethylbenzene-alpha1,alpha4-diamine ZINC393805 32321-30-5 EINECS 250-987-9 ACM32321305 MCULE-8368713965 CHEMBL235282 [4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine AC1L3UVD FCH874471 [ Show all ]
Inchi Key	BQBSCHUAHABRME-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H20N2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h5-6,13-14H2,1-4H3
PubChem CID	122584
ChEMBL	CHEMBL235282
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC	<1000.0 nM	PMID17958344	ChEMBL

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