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GPCR

NameC-X-C chemokine receptor type 4
SpeciesHomo sapiens (Human)
GeneCXCR4
SynonymLESTR
LESTR {ECO:0000303|PubMed:8276799}
Stromal cell-derived factor 1 receptor
LCR1
LAP-3
[ Show all ]
DiseaseN/A
Length352
Amino acid sequenceMEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
UniProtP61073
Protein Data Bank3oe9, 3oe8, 3oe6, 3odu
GPCR-HGmod modelP61073
3D structure modelThis structure is from PDB ID 3oe9.
BioLiPBL0187218, BL0187262,BL0187263, BL0187259,BL0187260,BL0187261, BL0187197,BL0187198
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2107
IUPHAR71
DrugBankBE0000919

Ligand

NameCHEMBL501494
Molecular formulaC30H40N10O2
IUPAC name5-[[2-(diaminomethylideneamino)-4-methylpentanoyl]amino]-1-[3-(diaminomethylideneamino)propyl]-N-[2-(1H-indol-3-yl)ethyl]indole-2-carboxamide
Molecular weight572.718
Hydrogen bond acceptor4
Hydrogen bond donor7
XlogP2.0
SynonymsN/A
Inchi KeyCREJDTXJRYWTPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H40N10O2/c1-18(2)14-24(39-30(33)34)27(41)38-21-8-9-25-20(15-21)16-26(40(25)13-5-11-36-29(31)32)28(42)35-12-10-19-17-37-23-7-4-3-6-22(19)23/h3-4,6-9,15-18,24,37H,5,10-14H2,1-2H3,(H,35,42)(H,38,41)(H4,31,32,36)(H4,33,34,39)
PubChem CID44561485
ChEMBLCHEMBL501494
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity77.0 %PMID18539453ChEMBL

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