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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Endothelin receptor type B
Species	Sus scrofa (Pig)
Gene	EDNRB
Synonym	Endothelin receptor non-selective type ET-B ET-BR
Disease	N/A for non-human GPCRs
Length	443
Amino acid sequence	MQPLRSLCGRALVALIFACGVAGVQSEERGFPPAGATPPALRTGEIVAPPTKTFWPRGSNASLPRSSSPPQMPKGGRMAGPPARTLTPPPCEGPIEIKDTFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINVYKLLAEDWPFGVEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEALGFDMITTDYKGNRLRICLLHPTQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQNDSNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProt	P35463
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3949
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL74471
Molecular formula	C36H45BrN6O5
IUPAC name	2-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular weight	721.697
Hydrogen bond acceptor	5
Hydrogen bond donor	6
XlogP	6.5
Synonyms	BDBM50051399 2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-4-methyl-pentanoylamino}-propionylamino)-3-(1H-indol-3-yl)-propionic acid
Inchi Key	CLFPRXYAWSKZIE-UBLKFLPKSA-N
Inchi ID	InChI=1S/C36H45BrN6O5/c1-20(2)16-29(42-36(48)43-21(3)10-9-11-22(43)4)33(44)40-30(18-26-25-13-6-8-15-28(25)39-32(26)37)34(45)41-31(35(46)47)17-23-19-38-27-14-7-5-12-24(23)27/h5-8,12-15,19-22,29-31,38-39H,9-11,16-18H2,1-4H3,(H,40,44)(H,41,45)(H,42,48)(H,46,47)/t21-,22+,29?,30-,31?/m1/s1
PubChem CID	44314609
ChEMBL	CHEMBL74471
IUPHAR	N/A
BindingDB	50051399
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1100.0 nM	PMID8691426	BindingDB,ChEMBL

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