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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

NameCHEMBL3359523
Molecular formulaC24H23ClF3NO4
IUPAC name2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
Molecular weight481.896
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.4
SynonymsSCHEMBL2018583
RLGFHVZCVPTTLP-OAHLLOKOSA-N
BDBM50041983
(R)-2-(9-chloro-7-(4-isopropoxy-3-(trifluoromethyl)benzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid
Inchi KeyRLGFHVZCVPTTLP-OAHLLOKOSA-N
Inchi IDInChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1
PubChem CID53362086
ChEMBLCHEMBL3359523
IUPHARN/A
BindingDB50041983
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.05 nMPMID25516794ChEMBL
EC500.05 nMPMID25516794BindingDB
Emax81.0 %PMID25516794ChEMBL

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