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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	Rattus norvegicus (Rat)
Gene	Ednrb
Synonym	HSCR ETB receptor ET-BR ET-B Endothelin receptor non-selective type endothelin B receptor HSCR2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	442
Amino acid sequence	MQSSASRCGRALVALLLACGLLGVWGEKRGFPPAQATPSLLGTKEVMTPPTKTSWTRGSNSSLMRSSAPAEVTKGGRVAGVPPRSFPPPCQRKIEINKTFKYINTIVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINAYKLLAGDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDVITSDYKGKPLRVCMLNPFQKTAFMQFYKTAKDWWLFSFYFCLPLAITAIFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQSNPQRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQTFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProt	P21451
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	CHEMBL4631
IUPHAR	220
DrugBank	N/A

Ligand

Name	CHEMBL1793925
Molecular formula	C51H68N8O9
IUPAC name	(3S)-4-[[(3S)-3-[[(2S)-2-acetamido-3,3-diphenylpropanoyl]amino]-5-methyl-2-oxohexyl]amino]-3-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight	937.152
Hydrogen bond acceptor	10
Hydrogen bond donor	9
XlogP	3.1
Synonyms	BDBM50369266
Inchi Key	FZNPXBBDYXQYLN-KFYDKIFBSA-N
Inchi ID	InChI=1S/C51H68N8O9/c1-8-30(5)44(59-50(67)45(31(6)9-2)58-47(64)37(52)25-35-27-53-38-23-17-16-22-36(35)38)49(66)57-40(26-42(62)63)48(65)54-28-41(61)39(24-29(3)4)56-51(68)46(55-32(7)60)43(33-18-12-10-13-19-33)34-20-14-11-15-21-34/h10-23,27,29-31,37,39-40,43-46,53H,8-9,24-26,28,52H2,1-7H3,(H,54,65)(H,55,60)(H,56,68)(H,57,66)(H,58,64)(H,59,67)(H,62,63)/t30-,31-,37-,39-,40-,44-,45-,46-/m0/s1
PubChem CID	56657875
ChEMBL	CHEMBL1793925
IUPHAR	N/A
BindingDB	50369266
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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<250.0 nM	PMID9216842	BindingDB,ChEMBL

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