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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

NameCHEMBL3793159
Molecular formulaC26H29ClN4O
IUPAC name2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methyl-7-phenylbenzimidazole-2,4-diamine
Molecular weight448.995
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50161925
Inchi KeyAHRLZFQOAGYJQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29ClN4O/c1-6-31(7-2)21-14-13-20(18-11-9-8-10-12-18)24-25(21)30(4)26(29-24)28-23-17(3)15-19(27)16-22(23)32-5/h8-16H,6-7H2,1-5H3,(H,28,29)
PubChem CID127030926
ChEMBLCHEMBL3793159
IUPHARN/A
BindingDB50161925
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID26901666BindingDB,ChEMBL

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