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GPCR

NameEndothelin receptor type B
SpeciesBos taurus (Bovine)
GeneEDNRB
SynonymEndothelin receptor non-selective type
ET-B
ET-BR
DiseaseN/A for non-human GPCRs
Length441
Amino acid sequenceMQPLPSLCGRALVALILACGVAGIQAEEREFPPAGATQPLPGTGEMMETPTETSWPGRSNASDPRSSATPQIPRGGRMAGIPPRTPPPCDGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINTYKLLAKDWPFGVEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAVGFDIITSDHIGNKLRICLLHPTQKTAFMQFYKTAKDWWLFSFYFCLPLAITALFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQHDPRRCEFLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProtP28088
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4401
IUPHARN/A
DrugBankN/A

Ligand

NameBDBM50289649
Molecular formulaC103H117N23O24
IUPAC name(3S)-3-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight2061.21
Hydrogen bond acceptor26
Hydrogen bond donor26
XlogP-1.3
SynonymsN/A
Inchi KeyZUENRBCVCNXGQC-RYIFUXPHSA-N
Inchi IDInChI=1S/C103H117N23O24/c1-54(113-101(147)89(55(2)127)125-87(133)52-111-90(136)78(43-63-51-107-53-112-63)121-96(142)77(41-61-49-109-70-24-13-10-21-67(61)70)119-97(143)79(44-84(105)130)114-86(132)47-104)102(148)126-35-15-26-83(126)100(146)123-81(46-88(134)135)99(145)120-76(40-60-48-108-69-23-12-9-20-66(60)69)95(141)117-72(36-56-16-5-3-6-17-56)91(137)115-73(37-57-18-7-4-8-19-57)93(139)122-80(45-85(106)131)98(144)118-74(38-58-27-31-64(128)32-28-58)92(138)116-75(39-59-29-33-65(129)34-30-59)94(140)124-82(103(149)150)42-62-50-110-71-25-14-11-22-68(62)71/h3-14,16-25,27-34,48-51,53-55,72-83,89,108-110,127-129H,15,26,35-47,52,104H2,1-2H3,(H2,105,130)(H2,106,131)(H,107,112)(H,111,136)(H,113,147)(H,114,132)(H,115,137)(H,116,138)(H,117,141)(H,118,144)(H,119,143)(H,120,145)(H,121,142)(H,122,139)(H,123,146)(H,124,140)(H,125,133)(H,134,135)(H,149,150)/t54-,55+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/m0/s1
PubChem CID77282233
ChEMBLCHEMBL429908
IUPHARN/A
BindingDB50289649
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
IC505000.0 nMBioorg. Med. Chem. Lett., (1997) 7:13:1715, BindingDB,ChEMBL

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