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GPCR

NameCorticotropin-releasing factor receptor 1
SpeciesHomo sapiens (Human)
GeneCRHR1
SynonymCRHR
CRH-R1
CRH-R-1
CRFR1
CRFR-1
[ Show all ]
DiseaseMajor depressive disorder; Severe mood disorder
Depression; Anxiety
Depression
Irritable bowel syndrome
Anxiety disorder; Depression
[ Show all ]
Length444
Amino acid sequenceMGGHPQLRLVKALLLLGLNPVSASLQDQHCESLSLASNISGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRPGCTHWGDQADGALEVGAPWSGAPFQVRRSIRCLRNIIHWNLISAFILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWHRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProtP34998
Protein Data Bank4z9g, 4k5y
GPCR-HGmod modelP34998
3D structure modelThis structure is from PDB ID 4z9g.
BioLiPBL0350036,BL0350037,BL0350038, BL0251208
Therapeutic Target DatabaseT45262
ChEMBLCHEMBL1800
IUPHAR212
DrugBankBE0008658

Ligand

NameCHEMBL115119
Molecular formulaC16H10Cl3N
IUPAC name4-chloro-8-(2,4-dichlorophenyl)-2-methylquinoline
Molecular weight322.613
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP6.1
Synonyms2-Methyl-4-chloro-8-(2,4-dichlorophenyl)quinoline
BBNQCAXGODUUPF-UHFFFAOYSA-N
4-Chloro-8-(2,4-dichloro-phenyl)-2-methyl-quinoline
BDBM50132960
2-methyl-4-chloro-8-(2',4'-dichlorophenyl)quinoline
[ Show all ]
Inchi KeyBBNQCAXGODUUPF-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H10Cl3N/c1-9-7-14(18)13-4-2-3-12(16(13)20-9)11-6-5-10(17)8-15(11)19/h2-8H,1H3
PubChem CID11759092
ChEMBLCHEMBL115119
IUPHARN/A
BindingDB50132960
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5.0 nMPMID12951129BindingDB,ChEMBL

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