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GPCR

NameEndothelin receptor type B
SpeciesRattus norvegicus (Rat)
GeneEdnrb
SynonymHSCR
ETB receptor
ET-BR
ET-B
Endothelin receptor non-selective type
[ Show all ]
DiseaseN/A for non-human GPCRs
Length442
Amino acid sequenceMQSSASRCGRALVALLLACGLLGVWGEKRGFPPAQATPSLLGTKEVMTPPTKTSWTRGSNSSLMRSSAPAEVTKGGRVAGVPPRSFPPPCQRKIEINKTFKYINTIVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINAYKLLAGDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDVITSDYKGKPLRVCMLNPFQKTAFMQFYKTAKDWWLFSFYFCLPLAITAIFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQSNPQRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQTFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProtP21451
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4631
IUPHAR220
DrugBankN/A

Ligand

NameBDBM50284276
Molecular formulaC108H160N26O33S5
IUPAC name(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-5-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2R)-5-amino-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Molecular weight2510.92
Hydrogen bond acceptor41
Hydrogen bond donor37
XlogP-7.6
SynonymsN/A
Inchi KeyDMTVLRILUGXZNL-LSUQCDQXSA-N
Inchi IDInChI=1S/C108H160N26O33S5/c1-10-55(8)87(107(165)118-65(27-29-82(111)139)90(148)126-75(108(166)167)38-58-42-113-63-21-15-14-20-61(58)63)134-99(157)74(41-85(144)145)124-94(152)69(35-53(4)5)119-97(155)72(39-59-43-112-51-114-59)122-103(161)79(48-169)131-96(154)70(36-56-18-12-11-13-19-56)121-95(153)71(37-57-23-25-60(138)26-24-57)125-106(164)86(54(6)7)133-105(163)81(50-171)130-91(149)66(28-30-83(140)141)116-89(147)64(22-16-17-32-109)115-98(156)73(40-84(142)143)123-92(150)67(31-33-172-9)117-93(151)68(34-52(2)3)120-100(158)77(45-136)128-101(159)78(46-137)129-104(162)80(49-170)132-102(160)76(44-135)127-88(146)62(110)47-168/h11-15,18-21,23-26,42-43,51-55,62,64-81,86-87,113,135-138,168-171H,10,16-17,22,27-41,44-50,109-110H2,1-9H3,(H2,111,139)(H,112,114)(H,115,156)(H,116,147)(H,117,151)(H,118,165)(H,119,155)(H,120,158)(H,121,153)(H,122,161)(H,123,150)(H,124,152)(H,125,164)(H,126,148)(H,127,146)(H,128,159)(H,129,162)(H,130,149)(H,131,154)(H,132,160)(H,133,163)(H,134,157)(H,140,141)(H,142,143)(H,144,145)(H,166,167)/t55-,62+,64+,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,86+,87+/m1/s1
PubChem CID77282158
ChEMBLCHEMBL264220
IUPHARN/A
BindingDB50284276
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
IC505590000.0 nMN/ABindingDB
Log 1/IC505.59 mMBioorg. Med. Chem. Lett., (1994) 4:9:1157ChEMBL

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