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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	CHEMBL3628739
Molecular formula	C161H274N48O46S
IUPAC name	(4S)-5-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
Molecular weight	3650.31
Hydrogen bond acceptor	55
Hydrogen bond donor	53
XlogP	-20.2
Synonyms	N/A
Inchi Key	INBLUEDNNZCTNZ-JBNJRNGTSA-N
Inchi ID	InChI=1S/C161H274N48O46S/c1-21-84(14)126(130(172)226)206-159(255)129(89(19)210)209-156(252)115(76-125(224)225)205-152(248)111(71-83(12)13)202-150(246)109(69-81(8)9)201-149(245)108(68-80(6)7)199-140(236)98(44-36-65-179-161(175)176)188-154(250)114(75-120(171)215)204-155(251)113(74-119(170)214)197-132(228)88(18)181-131(227)87(17)182-134(230)99(45-52-116(167)211)189-141(237)100(46-53-117(168)212)190-135(231)93(39-27-31-60-162)184-143(239)102(48-55-121(216)217)192-137(233)95(41-29-33-62-164)185-144(240)103(49-56-122(218)219)193-142(238)101(47-54-118(169)213)191-136(232)94(40-28-32-61-163)186-145(241)104(50-57-123(220)221)195-157(253)127(85(15)22-2)207-146(242)105(51-58-124(222)223)196-158(254)128(86(16)23-3)208-147(243)106(59-66-256-20)194-138(234)96(42-30-34-63-165)183-139(235)97(43-35-64-178-160(173)174)187-148(244)107(67-79(4)5)200-151(247)110(70-82(10)11)203-153(249)112(73-91-77-177-78-180-91)198-133(229)92(166)72-90-37-25-24-26-38-90/h24-26,37-38,77-89,92-115,126-129,210H,21-23,27-36,39-76,162-166H2,1-20H3,(H2,167,211)(H2,168,212)(H2,169,213)(H2,170,214)(H2,171,215)(H2,172,226)(H,177,180)(H,181,227)(H,182,230)(H,183,235)(H,184,239)(H,185,240)(H,186,241)(H,187,244)(H,188,250)(H,189,237)(H,190,231)(H,191,232)(H,192,233)(H,193,238)(H,194,234)(H,195,253)(H,196,254)(H,197,228)(H,198,229)(H,199,236)(H,200,247)(H,201,245)(H,202,246)(H,203,249)(H,204,251)(H,205,248)(H,206,255)(H,207,242)(H,208,243)(H,209,252)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H4,173,174,178)(H4,175,176,179)/t84-,85-,86-,87-,88-,89+,92+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,126-,127-,128-,129-/m0/s1
PubChem CID	16138449
ChEMBL	CHEMBL3628739
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
479813	Corticotropin-releasing factor receptor 2	Q13324	CRHR2	Homo sapiens (Human)	411

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