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GPCR

NameB2 bradykinin receptor
SpeciesCavia porcellus (Guinea pig)
GeneBDKRB2
SynonymB2R
BK-2 receptor
DiseaseN/A for non-human GPCRs
Length372
Amino acid sequenceMFNITSQVSALNATLAQGNSCLDAEWWSWLNTIQAPFLWVLFVLAVLENIFVLSVFFLHKSSCTVAEIYLGNLAVADLILAFGLPFWAITIANNFDWLFGEVLCRMVNTMIQMNMYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCALLLSSPMLVFRTMKDYRDEGHNVTACLIIYPSLTWQVFTNVLLNLVGFLLPLSIITFCTVQIMQVLRNNEMQKFKEIQTERRATVLVLAVLLLFVVCWLPFQIGTFLDTLRLLGFLPGCWEHVIDLITQISSYLAYSNSCLNPLVYVIVGKRFRKKSREVYHGLCRSGGCVSEPAQSENSMGTLRTSISVDRQIHKLQDWARSSSEGTPPGLL
UniProtO70526
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4111
IUPHARN/A
DrugBankN/A

Ligand

NameLys-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-Igl-Oic
Molecular formulaC64H95N15O13
IUPAC name(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular weight1282.56
Hydrogen bond acceptor17
Hydrogen bond donor14
XlogP-3.3
SynonymsB-9858
CHEMBL2370700
180726-64-1
Inchi KeyAGNBGVFSXGZENP-YIQRHQHMSA-N
Inchi IDInChI=1S/C64H95N15O13/c65-23-9-7-18-44(67)55(83)72-45(19-8-10-24-66)56(84)73-46(20-11-25-70-64(68)69)60(88)77-26-12-22-49(77)61(89)78-34-43(81)32-50(78)58(86)71-33-52(82)75-53(41-27-36-13-1-2-14-37(36)28-41)59(87)74-47(35-80)57(85)76-54(42-29-38-15-3-4-16-39(38)30-42)62(90)79-48-21-6-5-17-40(48)31-51(79)63(91)92/h1-4,13-16,40-51,53-54,80-81H,5-12,17-35,65-67H2,(H,71,86)(H,72,83)(H,73,84)(H,74,87)(H,75,82)(H,76,85)(H,91,92)(H4,68,69,70)/t40-,43+,44-,45-,46-,47-,48-,49-,50-,51-,53-,54+/m0/s1
PubChem CID15952857
ChEMBLCHEMBL2370700
IUPHARN/A
BindingDBN/A
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
Kd3162.28 nMPMID9986712ChEMBL

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