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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

NameCHEMBL384846
Molecular formulaC52H88N16O9
IUPAC name(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[11-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]undecanoylamino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1081.38
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-2.3
SynonymsBDBM50408807
Inchi KeyUQAONJBQIBLTPQ-SXQKWGRTSA-N
Inchi IDInChI=1S/C52H88N16O9/c53-36(19-13-25-61-50(54)55)44(71)65-37(20-14-26-62-51(56)57)45(72)60-24-12-6-4-2-1-3-5-7-23-42(70)64-39(31-69)46(73)67-43(35-28-32-16-8-9-17-33(32)29-35)48(75)68-40-22-11-10-18-34(40)30-41(68)47(74)66-38(49(76)77)21-15-27-63-52(58)59/h8-9,16-17,34-41,43,69H,1-7,10-15,18-31,53H2,(H,60,72)(H,64,70)(H,65,71)(H,66,74)(H,67,73)(H,76,77)(H4,54,55,61)(H4,56,57,62)(H4,58,59,63)/t34-,36+,37-,38-,39-,40-,41-,43+/m0/s1
PubChem CID44354174
ChEMBLCHEMBL384846
IUPHARN/A
BindingDB50408807
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
Kd10000.0 nMPMID9986712BindingDB,ChEMBL

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