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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

NameCHEMBL3105479
Molecular formulaC25H28N2O3S
IUPAC name3-[2-ethyl-6-methyl-4-[5-[(2S,4R)-3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-dien-7-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
Molecular weight436.57
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.8
Synonyms2-Ethyl-4-[5-[(4S)-3,7,7-trimethyl-4alpha,5alpha-methano-5,6-dihydro-4H-cyclopenta[c]thiophene-1-yl]-1,2,4-oxadiazole-3-yl]-6-methylbenzenepropanoic acid
BDBM50445387
SCHEMBL4974402
Inchi KeyJVFNCNSLPZOKHG-WIYYLYMNSA-N
Inchi IDInChI=1S/C25H28N2O3S/c1-6-14-10-15(9-12(2)16(14)7-8-19(28)29)23-26-24(30-27-23)22-17-11-18-21(25(18,4)5)20(17)13(3)31-22/h9-10,18,21H,6-8,11H2,1-5H3,(H,28,29)/t18-,21-/m1/s1
PubChem CID69263869
ChEMBLCHEMBL3105479
IUPHARN/A
BindingDB50445387
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC504.4 nMPMID24266709BindingDB,ChEMBL

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