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GPCR

NameCholecystokinin receptor type A
SpeciesMus musculus (Mouse)
GeneCckar
SynonymCCK-A receptor
CCK-AR
CCK1 receptor
CCK1-R
cholecystokinin receptor type A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length436
Amino acid sequenceMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSAVQILLYSFIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLIPGVVMVVAYGLISLELYQGIKFDASQKKSAKEKRLSSGGGGGGGSSSSRYEDSDGCYLQKSRPPRKLELQQLSTSSSGGRINRIRSSGSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPTGVRGEVGEEEDGRTIRASLSRYSYSHMSTSAPPH
UniProtO08786
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2798
IUPHARN/A
DrugBankN/A

Ligand

NameBDBM50287270
Molecular formulaC37H40N10O6S2
IUPAC name[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methyl N-[[[3-[2-[[2-(2-amino-2-iminoethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethylamino]-3-oxopropanoyl]amino]methyl]carbamate
Molecular weight784.911
Hydrogen bond acceptor11
Hydrogen bond donor7
XlogP2.0
Synonyms[(2-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsulfanyl]-ethylcarbamoyl}-acetylamino)-methyl]-carbamic acid 3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-benzyl ester
Inchi KeyVKIJQQKOOUWXII-UMSFTDKQSA-N
Inchi IDInChI=1S/C37H40N10O6S2/c1-47-28-13-6-5-12-27(28)33(24-9-3-2-4-10-24)45-34(35(47)50)46-36(51)44-25-11-7-8-23(16-25)19-53-37(52)42-22-41-31(49)18-30(48)40-14-15-54-20-26-21-55-32(43-26)17-29(38)39/h2-13,16,21,34H,14-15,17-20,22H2,1H3,(H3,38,39)(H,40,48)(H,41,49)(H,42,52)(H2,44,46,51)/t34-/m0/s1
PubChem CID91934474
ChEMBLN/A
IUPHARN/A
BindingDB50287270
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC503100.0 nMN/ABindingDB

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