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GPCR

NameGastrin/cholecystokinin type B receptor
SpeciesRattus norvegicus (Rat)
GeneCckbr
SynonymCHOLREC
Cholecystokinin-2 receptor
CCK2-R
CCK2 receptor
CCK-BR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length452
Amino acid sequenceMELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProtP30553
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3508
IUPHAR77
DrugBankN/A

Ligand

NameCHEMBL400548
Molecular formulaC38H45N3O5
IUPAC name(2R)-2-[[2-[(2S)-1-[16-(1-adamantylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl]pyrrolidin-2-yl]acetyl]amino]propanoic acid
Molecular weight623.794
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.7
SynonymsN/A
Inchi KeyDFBVJALNMQILKP-YKSTXUAISA-N
Inchi IDInChI=1S/C38H45N3O5/c1-21(37(45)46)40-30(42)16-25-7-6-12-41(25)36(44)34-32-28-10-4-2-8-26(28)31(27-9-3-5-11-29(27)32)33(34)35(43)39-20-38-17-22-13-23(18-38)15-24(14-22)19-38/h2-5,8-11,21-25,31-34H,6-7,12-20H2,1H3,(H,39,43)(H,40,42)(H,45,46)/t21-,22?,23?,24?,25+,31?,32?,33?,34?,38?/m1/s1
PubChem CID44444932
ChEMBLCHEMBL400548
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
pKb7.3 -PMID18201065ChEMBL

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