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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

NameCHEMBL218454
Molecular formulaC46H72N14O10
IUPAC name(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[[2-[[1-[[2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]cycloheptanecarbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular weight981.17
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP-4.3
SynonymsBDBM50408802
Inchi KeyJOGQSMFOAMZFHC-VGFLLKSVSA-N
Inchi IDInChI=1S/C46H72N14O10/c47-30(14-9-19-52-44(48)49)38(64)57-31(15-10-20-53-45(50)51)39(65)54-24-37(63)58-46(17-7-1-2-8-18-46)43(70)55-23-36(62)56-32(26-61)40(66)59-25-29-13-4-3-11-27(29)21-34(59)41(67)60-33-16-6-5-12-28(33)22-35(60)42(68)69/h3-4,11,13,28,30-35,61H,1-2,5-10,12,14-26,47H2,(H,54,65)(H,55,70)(H,56,62)(H,57,64)(H,58,63)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t28-,30+,31-,32-,33-,34+,35-/m0/s1
PubChem CID44354044
ChEMBLCHEMBL218454
IUPHARN/A
BindingDB50408802
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
Kd6309.57 nMPMID9986712BindingDB,ChEMBL

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