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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

NameCHEMBL2048287
Molecular formulaC23H15F3N4O4
IUPAC name2-[7-[5-[3-cyano-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
Molecular weight468.392
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50386853
ODAGRTXRMUHDND-UHFFFAOYSA-N
2-(7-(5-(3-Cyano-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic Acid
SCHEMBL2562414
Inchi KeyODAGRTXRMUHDND-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
PubChem CID42630194
ChEMBLCHEMBL2048287
IUPHARN/A
BindingDB50386853
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502.6 nMPMID22633692BindingDB,ChEMBL
EC508.3 nMPMID22633692BindingDB,ChEMBL

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