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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

NameCHEMBL297868
Molecular formulaC19H21Cl2N5
IUPAC name4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine
Molecular weight390.312
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.5
SynonymsSCHEMBL7224264
BDBM50087719
4-(5,7-Dichloro-2,3-dihydro-indol-1-yl)-1-(1-ethyl-propyl)-6-methyl-1H-[1,2,3]triazolo[4,5-c]pyridine
Inchi KeyBEGBSSPFQACGIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21Cl2N5/c1-4-14(5-2)26-16-8-11(3)22-19(17(16)23-24-26)25-7-6-12-9-13(20)10-15(21)18(12)25/h8-10,14H,4-7H2,1-3H3
PubChem CID18629227
ChEMBLCHEMBL297868
IUPHARN/A
BindingDB50087719
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.3 nMPMID10794681BindingDB,ChEMBL

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