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GPCR

NameSphingosine 1-phosphate receptor 1
SpeciesMus musculus (Mouse)
GeneS1pr1
SynonymS1P1 receptor
S1P1
S1P receptor Edg-1
S1P receptor 1
Lysophospholipid receptor B1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length382
Amino acid sequenceMVSTSIPEVKALRSSVSDYGNYDIIVRHYNYTGKLNIGAEKDHGIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIVSCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
UniProtO08530
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1914262
IUPHAR275
DrugBankN/A

Ligand

NameKRP 203-phosphate
Molecular formulaC23H25ClNO6PS
IUPAC name[2-amino-4-[2-chloro-4-(3-phenoxyphenyl)sulfanylphenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate
Molecular weight509.938
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.0
SynonymsD0U7YK
GTPL2923
SCHEMBL20478074
[2-amino-2-(2-{2-chloro-4-[(3-phenoxyphenyl)sulfanyl]phenyl}ethyl)-3-hydroxypropoxy]phosphonic acid
Inchi KeyBZVUYJGCYLMFGX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25ClNO6PS/c24-22-14-21(10-9-17(22)11-12-23(25,15-26)16-30-32(27,28)29)33-20-8-4-7-19(13-20)31-18-5-2-1-3-6-18/h1-10,13-14,26H,11-12,15-16,25H2,(H2,27,28,29)
PubChem CID56947075
ChEMBLN/A
IUPHAR2923
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC500.851139 nMPMID17898319IUPHAR

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