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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL147908
Molecular formula	C43H57N7O12
IUPAC name	(4S)-4-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular weight	863.966
Hydrogen bond acceptor	12
Hydrogen bond donor	10
XlogP	2.8
Synonyms	BDBM50281564 (S)-4-((R)-2-Acetylamino-3-phenyl-propionylamino)-4-((S)-2-carboxy-1-{(S)-1-[(S)-(S)-1-((S)-1-carboxy-2-(S)-1H-indol-3-yl-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-2-methyl-butylcarbamoyl}-ethylcarbamoyl)-butyric acid
Inchi Key	CAOZFSYRDJCUQV-CCEHOFDQSA-N
Inchi ID	InChI=1S/C43H57N7O12/c1-6-23(3)36(41(59)48-33(43(61)62)20-27-22-44-29-16-12-11-15-28(27)29)50-42(60)37(24(4)7-2)49-40(58)32(21-35(54)55)47-38(56)30(17-18-34(52)53)46-39(57)31(45-25(5)51)19-26-13-9-8-10-14-26/h8-16,22-24,30-33,36-37,44H,6-7,17-21H2,1-5H3,(H,45,51)(H,46,57)(H,47,56)(H,48,59)(H,49,58)(H,50,60)(H,52,53)(H,54,55)(H,61,62)/t23-,24-,30-,31+,32-,33-,36-,37-/m0/s1
PubChem CID	44364522
ChEMBL	CHEMBL147908
IUPHAR	N/A
BindingDB	50281564
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This 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

Parameter	Value	Reference	Database source
IC50	1300.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:4:497	BindingDB,ChEMBL

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