Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

GPCR

NameCholecystokinin receptor type A
SpeciesRattus norvegicus (Rat)
GeneCckar
SynonymCCK-A receptor
CCK-AR
CCK1 receptor
CCK1-R
cholecystokinin receptor type A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length444
Amino acid sequenceMSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQILLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVMVVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQLSSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEEDGRTIRALLSRYSYSHMSTSAPPP
UniProtP30551
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2871
IUPHAR76
DrugBankN/A

Ligand

NameCHEMBL122438
Molecular formulaC46H56N8O13S2
IUPAC name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-2-(carboxyamino)-3-(4-sulfophenyl)propanoyl]amino]cyclopentyl]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight993.117
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP1.8
SynonymsBDBM50003204
N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2-[2-(2-{2-[2-carboxyamino-3-(4-sulfo-phenyl)-propionylamino]-cyclopentyl}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid
Inchi KeyUTASPKJYLNADST-YDFZJHKUSA-N
Inchi IDInChI=1S/C46H56N8O13S2/c1-68-19-18-34(42(59)53-38(24-40(56)57)45(62)52-35(41(47)58)20-26-8-3-2-4-9-26)51-44(61)37(22-29-25-48-33-12-6-5-11-31(29)33)49-39(55)23-28-10-7-13-32(28)50-43(60)36(54-46(63)64)21-27-14-16-30(17-15-27)69(65,66)67/h2-6,8-9,11-12,14-17,25,28,32,34-38,48,54H,7,10,13,18-24H2,1H3,(H2,47,58)(H,49,55)(H,50,60)(H,51,61)(H,52,62)(H,53,59)(H,56,57)(H,63,64)(H,65,66,67)/t28?,32-,34+,35+,36+,37+,38+/m1/s1
PubChem CID44348922
ChEMBLCHEMBL122438
IUPHARN/A
BindingDB50003204
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
IC5025.0 nMPMID1433191BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417