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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

NameCHEMBL1916399
Molecular formulaC22H15F3N4O5
IUPAC name4-[5-[5-[3-cyano-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
Molecular weight472.38
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.2
SynonymsSCHEMBL4429194
BDBM50357764
Inchi KeyASJOLIPQCOYRPT-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
PubChem CID44517795
ChEMBLCHEMBL1916399
IUPHARN/A
BindingDB50357764
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Experimental Data

ParameterValueReferenceDatabase source
EC501.0 nMPMID21852130BindingDB,ChEMBL

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