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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	Framycetin
Molecular formula	C23H46N6O13
IUPAC name	(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
Molecular weight	614.65
Hydrogen bond acceptor	19
Hydrogen bond donor	13
XlogP	-9.0
Synonyms	(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside Framycetin sulfate 119-04-0 GTPL709 30384-EP2287166A2 LS-96091 30384-EP2305697A2 Myciguent AB00443887 Neolate Antibiotic 10676 NEOMYCIN B BRD-K71013094-065-01-2 Neomycine [INN-French] CCRIS 5462 SC-83646 D0RD0N Tuttomycin EPA Pesticide Chemical Code 006303 Fradiomycinum (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol Framycetine [INN-French] 1405-10-3 (sulfate (salt)) HY-17624 30384-EP2295402A2 Myacine 4-18-00-07476 (Beilstein Handbook Reference) Neo-fradin (TN) VONAMYCIN Actilin Neomicina Antibiotique NEOMYCIN SULFATE Bycomycin Nivemycin CS-6390 Soframycin DTXSID2023359 11013-50-6 Framygen 30384-EP2277898A2 KDR Kinase Inhibitor, 3 30384-EP2305695A2 Mycifradin 6-(2-{(4S,2R,3R,5R)-4-[(5S,6S,2R,3R,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxy( 2H-3,4,5,6-tetrahydropyran-2-yloxy)]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yloxy }(3S,6S,1R,2R,4R)-4,6-diamino-3-hydroxycyclohexyloxy)(3S,2R,4R,5R,6R)-5-amino- 2-(aminomethyl)-2H Neobiotic AN-49153 neomycin BDG-(1-4)NEB-(5-1)RIB-(3-1)NED Neomycin [INN:BAN] C25H50N6O13 PIMAVECORT D05140 Soframycine Endomixin (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-cyclohexoxy]tetrahyd Framycetin [INN:BAN:DCF] 1393-86-8 HMS2089P15 30384-EP2292620A2 LS-96095 30384-EP2305698A2 NCGC00179612-01 AB00443887-03 Neomas Antibiotic 956 Neomycin B sulfate BRN 0101621 Neomycinum CHEBI:7508 SCHEMBL3279 UNII-4BOC774388 Fradiomycin Framicetina (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-{[(1R,2R,3S,5R,6S)-3,5-diamino-2-{[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol Framycetinum 30384-EP2272825A2 J-004060 30384-EP2298776A1 Myacyne 4BOC774388 Neo-Rx Vonamycin powder V Actiline Neomicina [DCIT] BDBM19 Neomycin sulphate C01737 NMY D-Streptamine, O-2,6-diamino-2,6-dideoxy-.beta.-L-idopyranosyl-(1.->3)-O-.beta.-D-ribofuranosyl-(1->5)]-O-[2,6-diamino-2,6-dideoxy-.alpha.-D-glucopyranosyl-(1->4)]-2-deoxy Soframycin (TN) EINECS 204-292-2 Framycetin (INN) 11025-81-3 Fraquinol 30384-EP2287165A2 lohexyloxy)(3S,2R,4R,5R,6R)-5-amino- 2-(aminomethyl)-2H-3,4,5,6-tetrahydropyran-3,4-diol 30384-EP2305696A2 Mycifradin (TN) Neobrettin AN-5730 NEOMYCIN AND POLYMYXIN B SULFATES BPBio1_000326 Neomycine Caswell No. 595 Prestwick3_000158 D05JNI ST075177 Enterfram Fradiomycin B (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol Framycetine 1404-04-2 HSDB 3242 30384-EP2295401A2 MolPort-003-938-736 30384-EP2311464A1 Neo-Fradin USAF CB-19 AC1L1QVH Neomcin Antibiotic produced by Streptomyces decaris. Neomycin B Neomycin solution BSPBio_000296 Neomycinum [INN-Latin] CHEMBL184618 Sofra-Tulle (TN) DB00452 UNII-I16QD7X297 component PGBHMTALBVVCIT-VCIWKGPPSA-N Framicetina [INN-Spanish] 11004-65-2 Framycetinum [INN-Latin] 30384-EP2272838A1 Jernadex 30384-EP2305662A1 Mycerin 6-(2-{(4S,2R,3R,5R)-4-[(5S,6S,2R,3R,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxy( 2H-3,4,5,6-tetrahydropyran-2-yloxy)]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yloxy }(3S,6S,1R,2R,4R)-4,6-diamino-3-hydroxycyc Neo-Tab (TN) ZINC71928291 AKOS024284361 Neomin BDG-(1-4)CYY-(5-1)RIB-(3-1)IDG Neomycin trisulfate salt hydrate C23H46N6O13 PGBHMTALBVVCIT-VCIWKGPPSA-N D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(O-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1-3)-beta-D-ribofuranosyl-(1-5))-2-deoxy- Soframycin Ophthalmic EINECS 215-766-3 [ Show all ]
Inchi Key	PGBHMTALBVVCIT-VCIWKGPPSA-N
Inchi ID	InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
PubChem CID	8378
ChEMBL	N/A
IUPHAR	709
BindingDB	N/A
DrugBank	DB00452
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank

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