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GPCR

NameType-1B angiotensin II receptor
SpeciesRattus norvegicus (Rat)
GeneAgtr1b
SynonymAngiotensin II type-1B receptor
AT1B
AT3
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE
UniProtP29089
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL263
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL295311
Molecular formulaC33H37ClN4O5
IUPAC namemethyl 1-[(2S)-1-[4-[[2-butyl-4-chloro-5-(3-methoxy-3-oxopropyl)imidazol-1-yl]methyl]anilino]-1-oxo-3-phenylpropan-2-yl]pyrrole-2-carboxylate
Molecular weight605.132
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.3
SynonymsSCHEMBL9589023
1-[(S)-2-[[4-[(2-Butyl-4-chloro-5-(3-oxo-3-methoxypropyl)-1H-imidazol-1-yl)methyl]phenyl]amino]-2-oxo-1-benzylethyl]-1H-pyrrole-2-carboxylic acid methyl ester
1-(1-{4-[2-Butyl-4-chloro-5-(2-methoxycarbonyl-ethyl)-imidazol-1-ylmethyl]-phenylcarbamoyl}-2-phenyl-ethyl)-1H-pyrrole-2-carboxylic acid methyl ester
BDBM50047939
Inchi KeyCRQSRGYHEVIVBI-NDEPHWFRSA-N
Inchi IDInChI=1S/C33H37ClN4O5/c1-4-5-13-29-36-31(34)26(18-19-30(39)42-2)38(29)22-24-14-16-25(17-15-24)35-32(40)28(21-23-10-7-6-8-11-23)37-20-9-12-27(37)33(41)43-3/h6-12,14-17,20,28H,4-5,13,18-19,21-22H2,1-3H3,(H,35,40)/t28-/m0/s1
PubChem CID44293466
ChEMBLCHEMBL295311
IUPHARN/A
BindingDB50047939
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50210.0 nMPMID8510101BindingDB,ChEMBL

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