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GPCR

NameCorticotropin-releasing factor receptor 1
SpeciesRattus norvegicus (Rat)
GeneCrhr1
SynonymCRH-R1
CRH-R-1
CRFR1
CRFR-1
CRF1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length415
Amino acid sequenceMGRRPQLRLVKALLLLGLNPVSTSLQDQRCENLSLTSNVSGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRSIRCLRNIIHWNLISAFILRNATWFVVQLTVSPEVHQSNVAWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFVCIGWGVPFPIIVAWAIGKLHYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWRRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProtP35353
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4649
IUPHAR212
DrugBankN/A

Ligand

NameCHEMBL164931
Molecular formulaC24H24N6O2
IUPAC name(4S,9R)-N-(2-aminoethyl)-24-hydroxy-3,10,14,16-tetrazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1(24),2,11,13,15,17(25),18,20,22-nonaene-12-carboxamide
Molecular weight428.496
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP1.7
SynonymsBDBM50075921
N-(2-Aminoethyl)-5,6-[imino(cyclohexane-1beta,2beta-diyl)imino]-7-oxo-7H-benzo[e]perimidine-4-carboxamide
8N-(2-aminoethyl)-15-oxo-(9aR,13aS)-11,12,13,15-tetrahydro-10H-benzo[7,8]quinazolino[5,4-ab]phenazine-8-carboxamide
8N-(2-aminoethyl)-15-oxo-9a,10,11,12,13,13a,14,15-octahydro-9H-benzo[7,8]quinazolino[5,4-ab]phenazine-8-carboxamide
Inchi KeyWDYQSAPKHJAPBL-LSDHHAIUSA-N
Inchi IDInChI=1S/C24H24N6O2/c25-9-10-26-24(32)18-20-16-17(21-22(18)30-15-8-4-3-7-14(15)29-21)23(31)13-6-2-1-5-12(13)19(16)27-11-28-20/h1-2,5-6,11,14-15,30-31H,3-4,7-10,25H2,(H,26,32)/t14-,15+/m0/s1
PubChem CID135958361
ChEMBLCHEMBL164931
IUPHARN/A
BindingDB50075921
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki270.0 nMPMID10201844BindingDB,ChEMBL

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