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GPCR

NameSphingosine 1-phosphate receptor 3
SpeciesHomo sapiens (Human)
GeneS1PR3
SynonymSphingosine 1-phosphate receptor Edg-3
S1P3 receptor
S1P3
S1P receptor Edg-3
S1P receptor 3
[ Show all ]
DiseaseBreast cancer
Length378
Amino acid sequenceMATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
UniProtQ99500
Protein Data BankN/A
GPCR-HGmod modelQ99500
3D structure modelThis predicted structure model is from GPCR-EXP Q99500.
BioLiPN/A
Therapeutic Target DatabaseT11241
ChEMBLCHEMBL3892
IUPHAR277
DrugBankN/A

Ligand

NameMLS000051886
Molecular formulaC19H16ClN3O3
IUPAC name2-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide
Molecular weight369.805
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.5
SynonymsSMR000081021
2-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide
2-({[(4-chlorophenyl)amino]carbonyl}amino)-N-(2-furylmethyl)benzamide
BAS 02498403
CBKinase1_011139
[ Show all ]
Inchi KeyARCJTCXIQFJWDK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16ClN3O3/c20-13-7-9-14(10-8-13)22-19(25)23-17-6-2-1-5-16(17)18(24)21-12-15-4-3-11-26-15/h1-11H,12H2,(H,21,24)(H2,22,23,25)
PubChem CID1131627
ChEMBLCHEMBL1508615
IUPHARN/A
BindingDB32790
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<16600.0 nMN/ABindingDB

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