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GPCR

NameLutropin-choriogonadotropic hormone receptor
SpeciesRattus norvegicus (Rat)
GeneLhcgr
SynonymLuteinizing hormone receptor
LSH-R
LHR
LH/CG-R
LH-R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length700
Amino acid sequenceMGRRVPALRQLLVLAVLLLKPSQLQSRELSGSRCPEPCDCAPDGALRCPGPRAGLARLSLTYLPVKVIPSQAFRGLNEVVKIEISQSDSLERIEANAFDNLLNLSELLIQNTKNLLYIEPGAFTNLPRLKYLSICNTGIRTLPDVTKISSSEFNFILEICDNLHITTIPGNAFQGMNNESVTLKLYGNGFEEVQSHAFNGTTLISLELKENIYLEKMHSGAFQGATGPSILDISSTKLQALPSHGLESIQTLIALSSYSLKTLPSKEKFTSLLVATLTYPSHCCAFRNLPKKEQNFSFSIFENFSKQCESTVRKADNETLYSAIFEENELSGWDYDYGFCSPKTLQCAPEPDAFNPCEDIMGYAFLRVLIWLINILAIFGNLTVLFVLLTSRYKLTVPRFLMCNLSFADFCMGLYLLLIASVDSQTKGQYYNHAIDWQTGSGCGAAGFFTVFASELSVYTLTVITLERWHTITYAVQLDQKLRLRHAIPIMLGGWLFSTLIATMPLVGISNYMKVSICLPMDVESTLSQVYILSILILNVVAFVVICACYIRIYFAVQNPELTAPNKDTKIAKKMAILIFTDFTCMAPISFFAISAAFKVPLITVTNSKILLVLFYPVNSCANPFLYAIFTKAFQRDFLLLLSRFGCCKRRAELYRRKEFSAYTSNCKNGFPGASKPSQATLKLSTVHCQQPIPPRALTH
UniProtP16235
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2456
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL412984
Molecular formulaC69H92Cl2N18O13
IUPAC name(2R)-1-[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(4-chlorophenyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1452.51
Hydrogen bond acceptor15
Hydrogen bond donor17
XlogP2.2
SynonymsBDBM50405789
Inchi KeyDPDLLWHIDCKKEA-VOIYBZDDSA-N
Inchi IDInChI=1S/C69H92Cl2N18O13/c1-37(2)30-51(60(95)83-50(13-8-28-78-69(75)76)67(102)89-29-9-14-57(89)66(101)80-38(3)58(72)93)84-59(94)49(12-7-27-77-68(73)74)82-62(97)53(33-42-19-25-46(92)26-20-42)86-65(100)56(36-90)88-64(99)55(34-43-35-79-48-11-6-5-10-47(43)48)87-63(98)54(32-41-17-23-45(71)24-18-41)85-61(96)52(81-39(4)91)31-40-15-21-44(70)22-16-40/h5-6,10-11,15-26,35,37-38,49-57,79,90,92H,7-9,12-14,27-34,36H2,1-4H3,(H2,72,93)(H,80,101)(H,81,91)(H,82,97)(H,83,95)(H,84,94)(H,85,96)(H,86,100)(H,87,98)(H,88,99)(H4,73,74,77)(H4,75,76,78)/t38-,49-,50-,51+,52-,53+,54-,55-,56+,57-/m1/s1
PubChem CID44314858
ChEMBLCHEMBL412984
IUPHARN/A
BindingDB50405789
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
Kd0.363 nMPMID2552116BindingDB
Kd0.3631 nMPMID2552116ChEMBL
Ki0.0182 nMPMID2552116ChEMBL

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