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GPCR

NameSphingosine 1-phosphate receptor 1
SpeciesRattus norvegicus (Rat)
GeneS1pr1
SynonymCD363
S1P1 receptor
S1P1
S1P receptor Edg-1
S1P receptor 1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length383
Amino acid sequenceMVSSTSIPVVKALRSQVSDYGNYDIIVRHYNYTGKLNIGVEKDHGIKLTSVVFILICCLIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIISCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
UniProtP48303
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1914263
IUPHARN/A
DrugBankN/A

Ligand

NameUNII-30YQ86DS4E
Molecular formulaC21H31N2O5P
IUPAC name[(2R)-2-amino-2-methyl-4-[1-methyl-5-[4-(4-methylphenyl)butanoyl]pyrrol-2-yl]butyl] dihydrogen phosphate
Molecular weight422.462
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP-0.8
Synonyms30YQ86DS4E
CHEMBL1951588
CS-0777-p
840523-39-9
CS-0777P
[ Show all ]
Inchi KeySFFJDCSCTWIGSG-OAQYLSRUSA-N
Inchi IDInChI=1S/C21H31N2O5P/c1-16-7-9-17(10-8-16)5-4-6-20(24)19-12-11-18(23(19)3)13-14-21(2,22)15-28-29(25,26)27/h7-12H,4-6,13-15,22H2,1-3H3,(H2,25,26,27)/t21-/m1/s1
PubChem CID11676168
ChEMBLCHEMBL1951588
IUPHARN/A
BindingDB50363937
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC501.8 nMPMID24900318, PMID22405291BindingDB,ChEMBL

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