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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	CHEMBL3774939
Molecular formula	C171H286N50O49
IUPAC name	(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoylamino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-[[(2S)-5-amino-1-[[1-[[(2S)-1-[[(2S)-5-amino-1-[[(6S,9S,18S)-18-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[1-[[(2S)-1-[[1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-3,3,6-trimethyl-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular weight	3826.47
Hydrogen bond acceptor	54
Hydrogen bond donor	55
XlogP	-8.2
Synonyms	BDBM50153485
Inchi Key	SSEBJWCPERCKCP-FVUCCGNESA-N
Inchi ID	InChI=1S/C171H286N50O49/c1-29-32-46-98(197-148(253)108(57-64-126(230)231)204-152(257)115(75-86(10)11)213-161(266)130(88(14)15)216-149(254)109(58-65-127(232)233)203-143(248)103(52-43-71-187-168(181)182)200-151(256)113(73-84(6)7)208-153(258)114(74-85(8)9)209-155(260)118(78-97-81-183-82-188-97)211-154(259)117(77-96-44-35-34-36-45-96)214-162(267)132(94(21)222)217-158(263)116(76-87(12)13)210-157(262)120(80-129(236)237)193-95(22)223)138(243)189-90(17)134(239)194-101(50-41-69-185-166(177)178)139(244)190-91(18)135(240)196-107(56-63-125(228)229)147(252)205-110(54-61-122(174)225)159(264)220-169(23,24)163(268)192-92(19)136(241)195-105(53-60-121(173)224)146(251)202-106-55-62-124(227)184-68-40-38-49-104(215-164(269)170(25,26)219-137(242)93(20)191-140(106)245)145(250)212-119(79-123(175)226)156(261)201-102(51-42-70-186-167(179)180)142(247)198-100(48-37-39-67-172)144(249)207-112(72-83(4)5)150(255)199-99(47-33-30-2)141(246)206-111(59-66-128(234)235)160(265)221-171(27,28)165(270)218-131(133(176)238)89(16)31-3/h34-36,44-45,81-94,98-120,130-132,222H,29-33,37-43,46-80,172H2,1-28H3,(H2,173,224)(H2,174,225)(H2,175,226)(H2,176,238)(H,183,188)(H,184,227)(H,189,243)(H,190,244)(H,191,245)(H,192,268)(H,193,223)(H,194,239)(H,195,241)(H,196,240)(H,197,253)(H,198,247)(H,199,255)(H,200,256)(H,201,261)(H,202,251)(H,203,248)(H,204,257)(H,205,252)(H,206,246)(H,207,249)(H,208,258)(H,209,260)(H,210,262)(H,211,259)(H,212,250)(H,213,266)(H,214,267)(H,215,269)(H,216,254)(H,217,263)(H,218,270)(H,219,242)(H,220,264)(H,221,265)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t89-,90-,91-,92-,93-,94+,98?,99?,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,119-,120-,130-,131-,132-/m0/s1
PubChem CID	127030817
ChEMBL	CHEMBL3774939
IUPHAR	N/A
BindingDB	50153485
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
530591	Corticotropin-releasing factor receptor 1	P35347	Crhr1	Mus musculus (Mouse)	415
530593	Corticotropin-releasing factor receptor 1	P34998	CRHR1	Homo sapiens (Human)	444
530592	Corticotropin-releasing factor receptor 2	P47866	Crhr2	Rattus norvegicus (Rat)	411
530594	Corticotropin-releasing factor receptor 2	Q60748	Crhr2	Mus musculus (Mouse)	411

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