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GPCR

NameGamma-aminobutyric acid type B receptor subunit 1
SpeciesHomo sapiens (Human)
GeneGABBR1
SynonymGPRC3A
Gb1
gamma-aminobutyric acid (GABA) B receptor 1
gamma-aminobutyric acid (GABA) B receptor
GABABR1
[ Show all ]
DiseaseN/A
Length961
Amino acid sequenceMLLLLLLAPLFLRPPGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQVKAINFLPVDYEIEYVCRGEREVVGPKVRKCLANGSWTDMDTPSRCVRICSKSYLTLENGKVFLTGGDLPALDGARVDFRCDPDFHLVGSSRSICSQGQWSTPKPHCQVNRTPHSERRAVYIGALFPMSGGWPGGQACQPAVEMALEDVNSRRDILPDYELKLIHHDSKCDPGQATKYLYELLYNDPIKIILMPGCSSVSTLVAEAARMWNLIVLSYGSSSPALSNRQRFPTFFRTHPSATLHNPTRVKLFEKWGWKKIATIQQTTEVFTSTLDDLEERVKEAGIEITFRQSFFSDPAVPVKNLKRQDARIIVGLFYETEARKVFCEVYKERLFGKKYVWFLIGWYADNWFKIYDPSINCTVDEMTEAVEGHITTEIVMLNPANTRSISNMTSQEFVEKLTKRLKRHPEETGGFQEAPLAYDAIWALALALNKTSGGGGRSGVRLEDFNYNNQTITDQIYRAMNSSSFEGVSGHVVFDASGSRMAWTLIEQLQGGSYKKIGYYDSTKDDLSWSKTDKWIGGSPPADQTLVIKTFRFLSQKLFISVSVLSSLGIVLAVVCLSFNIYNSHVRYIQNSQPNLNNLTAVGCSLALAAVFPLGLDGYHIGRNQFPFVCQARLWLLGLGFSLGYGSMFTKIWWVHTVFTKKEEKKEWRKTLEPWKLYATVGLLVGMDVLTLAIWQIVDPLHRTIETFAKEEPKEDIDVSILPQLEHCSSRKMNTWLGIFYGYKGLLLLLGIFLAYETKSVSTEKINDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAFAFASLAIVFSSYITLVVLFVPKMRRLITRGEWQSEAQDTMKTGSSTNNNEEEKSRLLEKENRELEKIIAEKEERVSELRHQLQSRQQLRSRRHPPTPPEPSGGLPRGPPEPPDRLSCDGSRVHLLYK
UniProtQ9UBS5
Protein Data Bank4mqe, 4mqf, 4mr9, 4mrm, 4ms1, 4ms3, 4ms4
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4mqe.
BioLiPBL0264367, BL0264359, BL0264358, BL0264357, BL0264356, BL0264366, BL0264368, BL0264369, BL0264370, BL0264371, BL0264365
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2064
IUPHAR240
DrugBankBE0000217

Ligand

NameML315
Molecular formulaC18H13Cl2N3O2
IUPAC name5-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-4-amine
Molecular weight374.221
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.7
Synonyms5-(benzo[d][1,3]dioxol-5-yl)-N-(3,5-dichlorobenzyl)pyrimidin-4-amine
KSC-14-101
BRD-K98168317-001-01-9
MLS004256649
D0UI7U
[ Show all ]
Inchi KeyJQSJAVBMIMDUFO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
PubChem CID46926514
ChEMBLCHEMBL1885748
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition-17.0 %PMID23642479ChEMBL

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