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GPCR

NameB1 bradykinin receptor
SpeciesRattus norvegicus (Rat)
GeneBdkrb1
SynonymKB1
bradykinin receptor
BKR1
BK-1 receptor
B1R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length337
Amino acid sequenceMASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL
UniProtP97583
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4613
IUPHAR41
DrugBankN/A

Ligand

NameCHEMBL134135
Molecular formulaC40H64N12O8
IUPAC name(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[6-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoylamino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular weight841.028
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-4.1
SynonymsBDBM50408822
Inchi KeyKDYVEGLQNMHZED-FUPLYUBQSA-N
Inchi IDInChI=1S/C40H64N12O8/c41-27(13-8-18-47-39(42)43)34(55)50-28(14-9-19-48-40(44)45)35(56)46-17-7-1-2-16-33(54)49-29(23-53)36(57)51-22-26-12-4-3-10-24(26)20-31(51)37(58)52-30-15-6-5-11-25(30)21-32(52)38(59)60/h3-4,10,12,25,27-32,53H,1-2,5-9,11,13-23,41H2,(H,46,56)(H,49,54)(H,50,55)(H,59,60)(H4,42,43,47)(H4,44,45,48)/t25-,27+,28-,29-,30-,31+,32-/m0/s1
PubChem CID44354162
ChEMBLCHEMBL134135
IUPHARN/A
BindingDB50408822
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
Kd1995.26 nMPMID9986712BindingDB,ChEMBL

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