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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL2369898
Molecular formula	C142H216N38O44S3
IUPAC name	(3S)-3-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S)-4-amino-1-[(2S)-2-[2-[[(2S)-2-[[(2S,3R)-1-[[(2S)-1-[(2R)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[2-[[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	3255.69
Hydrogen bond acceptor	50
Hydrogen bond donor	44
XlogP	-12.7
Synonyms	BDBM50110276 CHEMBL267581
Inchi Key	YYIDQLADSCSELD-ILODDJEPSA-N
Inchi ID	InChI=1S/C142H216N38O44S3/c1-17-69(8)111(134(216)154-61-107(195)172-110(68(6)7)133(215)153-58-105(193)156-71(10)140(222)179-44-25-32-98(179)117(148)199)174-118(200)70(9)157-135(217)114(74(13)184)175-124(206)84(39-41-102(145)190)161-132(214)99-33-26-45-180(99)141(223)93(51-78-29-22-19-23-30-78)169-136(218)112(72(11)182)159-90(52-80-56-149-65-155-80)121(203)150-57-100(188)97-31-24-43-178(97)142(224)94(54-104(147)192)168-126(208)88(49-77-27-20-18-21-28-77)165-128(210)92(55-109(197)198)166-122(204)83(38-40-101(144)189)162-138(220)115(75(14)185)176-129(211)89(50-79-34-36-81(187)37-35-79)167-137(219)113(73(12)183)173-108(196)60-152-120(202)86(47-66(2)3)163-123(205)85(42-46-227-16)160-131(213)96(64-226)171-139(221)116(76(15)186)177-130(212)95(62-181)170-125(207)87(48-67(4)5)164-127(209)91(53-103(146)191)158-106(194)59-151-119(201)82(143)63-225/h18-23,27-30,34-37,56,65-76,82-99,110-116,159,181-187,225-226H,17,24-26,31-33,38-55,57-64,143H2,1-16H3,(H2,144,189)(H2,145,190)(H2,146,191)(H2,147,192)(H2,148,199)(H,149,155)(H,150,203)(H,151,201)(H,152,202)(H,153,215)(H,154,216)(H,156,193)(H,157,217)(H,158,194)(H,160,213)(H,161,214)(H,162,220)(H,163,205)(H,164,209)(H,165,210)(H,166,204)(H,167,219)(H,168,208)(H,169,218)(H,170,207)(H,171,221)(H,172,195)(H,173,196)(H,174,200)(H,175,206)(H,176,211)(H,177,212)(H,197,198)/t69-,70-,71-,72+,73+,74+,75+,76+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98+,99+,110-,111-,112-,113-,114-,115-,116-/m0/s1
PubChem CID	73354513
ChEMBL	CHEMBL2369898
IUPHAR	N/A
BindingDB	N/A
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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
422262	Calcitonin receptor	P30988	CALCR	Homo sapiens (Human)	508
422263	Calcitonin receptor	P32214	Calcr	Rattus norvegicus (Rat)	516

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