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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.
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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	NSC 66832
Molecular formula	C10H16Cl2N8
IUPAC name	2-[(E)-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine;dihydrochloride
Molecular weight	319.194
Hydrogen bond acceptor	4
Hydrogen bond donor	6
XlogP	None
Synonyms	Guanidine, 1,1'-(p-phenylenebis(methylidynenitrilo))di-, dihydrochloride 2-[4-({[amino(imino)methyl]hydrazono}methyl)benzylidene]hydrazinecarboximidamide dihydrochloride LS-73867 N,N-(p-Xylylidene)bisaminoguanidine dihydrochloride 1,1'-(p-Phenylenebis(methylidynenitrilo))diguanidine dihydrochloride Hydrazinecarboximidamide, 2,2'-(1,4-phenylenedimethylidyne)bis-, dihydrochloride 7044-24-8 N'',N'''''-(1,4-phenylenedimethylylidene)dicarbonohydrazonic diamide dihydrochloride CHEMBL534939 1945-65-9 (Parent) Hydrazinecarboximidamide, 2,2'-(1,4-phenylenedimethylidyne)bis-, dihydrochloride (9CI) CHEBI:67202 N,N'-(p-xylylidene)bis(aminoguanidine) dihydrochloride [ Show all ]
Inchi Key	CWHXFFQCOLGJFG-CLEIDKRQSA-N
Inchi ID	InChI=1S/C10H14N8.2ClH/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14;;/h1-6H,(H4,11,12,17)(H4,13,14,18);2*1H/b15-5+,16-6+;;
PubChem CID	9577485
ChEMBL	CHEMBL534939
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC	100.0 nM	PMID17958344	ChEMBL

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