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GPCR

NameD(1A) dopamine receptor
SpeciesBos taurus (Bovine)
GeneDRD1
SynonymDopamine D1 receptor
DiseaseN/A for non-human GPCRs
Length446
Amino acid sequenceMRTLNTSTMEGTGLVAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTGPSEGNATSLGKTINNCDSSLSRTYAISSSLISFYIPVAIMIVTYTRIYRIAQKQIRRISALERAAVHAKNCQTTTGNGNPMECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCGSGETKPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPTTNNAIETVSINNNGAVVFSSHHEPRGSISKDCNVVYLIPHAVGSSEGLKKEEAVGIAKPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProtQ95136
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2967
IUPHARN/A
DrugBankN/A

Ligand

Namech56
Molecular formulaC19H19N5
IUPAC name2-[[4-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]methylidene]propanedinitrile
Molecular weight317.396
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.2
SynonymsCHEMBL294459
BDBM50079644
ZINC84462640
KB-271950
2-[4-(4-Phenylpiperazinomethyl)-1H-pyrrole-2-ylmethylene]malononitrile
[ Show all ]
Inchi KeyFASYQPOSAUOTDU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N5/c20-12-16(13-21)10-18-11-17(14-22-18)15-23-6-8-24(9-7-23)19-4-2-1-3-5-19/h1-5,10-11,14,22H,6-9,15H2
PubChem CID10425969
ChEMBLCHEMBL294459
IUPHARN/A
BindingDB50079644
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7200.0 nMPMID10450964BindingDB,ChEMBL

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