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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	CID 70687964
Molecular formula	C140H222N46O35
IUPAC name	(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[2-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
Molecular weight	3109.6
Hydrogen bond acceptor	42
Hydrogen bond donor	52
XlogP	-7.7
Synonyms	N/A
Inchi Key	YBEPHEJUYGVTTC-OYBDWANESA-N
Inchi ID	InChI=1S/C140H222N46O35/c1-15-73(9)108(130(216)173-89(41-28-54-157-138(148)149)117(203)165-76(12)112(198)182-107(72(7)8)129(215)184-109(74(10)16-2)131(217)177-96(60-80-34-21-18-22-35-80)124(210)185-110(78(14)190)132(218)180-100(69-189)126(212)169-87(39-26-52-155-136(144)145)114(200)161-65-103(193)168-99(68-188)125(211)170-90(42-29-55-158-139(150)151)120(206)178-97(134(220)221)62-82-63-160-86-38-24-23-36-84(82)86)183-123(209)95(59-79-32-19-17-20-33-79)175-121(207)92(49-50-105(195)196)171-118(204)88(40-27-53-156-137(146)147)167-102(192)64-163-116(202)98(67-187)179-122(208)93(58-70(3)4)174-119(205)91(43-30-56-159-140(152)153)172-128(214)106(71(5)6)181-104(194)66-162-115(201)94(61-81-45-47-83(191)48-46-81)176-127(213)101-44-31-57-186(101)133(219)77(13)166-111(197)75(11)164-113(199)85(141)37-25-51-154-135(142)143/h17-24,32-36,38,45-48,63,70-78,85,87-101,106-110,160,187-191H,15-16,25-31,37,39-44,49-62,64-69,141H2,1-14H3,(H,161,200)(H,162,201)(H,163,202)(H,164,199)(H,165,203)(H,166,197)(H,167,192)(H,168,193)(H,169,212)(H,170,211)(H,171,204)(H,172,214)(H,173,216)(H,174,205)(H,175,207)(H,176,213)(H,177,217)(H,178,206)(H,179,208)(H,180,218)(H,181,194)(H,182,198)(H,183,209)(H,184,215)(H,185,210)(H,195,196)(H,220,221)(H4,142,143,154)(H4,144,145,155)(H4,146,147,156)(H4,148,149,157)(H4,150,151,158)(H4,152,153,159)/t73-,74-,75-,76-,77-,78+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-,108-,109-,110-/m0/s1
PubChem CID	70687964
ChEMBL	CHEMBL2030698
IUPHAR	N/A
BindingDB	50382999
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
405866	Relaxin-3 receptor 1	Q9NSD7	RXFP3	Homo sapiens (Human)	469

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