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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 56947109
Molecular formula	C119H204N34O32S2
IUPAC name	(4S)-5-[(2S,3S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-6-amino-1-[(2S)-5-carbamimidamido-1-[(2S)-5-carbamimidamido-1-[(1S)-1-carboxyethyl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-1-hydroxy-4-methylsulfanylbutylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-5-hydroxypentanoic acid
Molecular weight	2687.27
Hydrogen bond acceptor	60
Hydrogen bond donor	39
XlogP	4.5
Synonyms	N/A
Inchi Key	DPEUWKZJZIPZKE-OFANTOPUSA-N
Inchi ID	InChI=1S/C119H204N34O32S2/c1-19-65(14)92(112(180)144-81(54-90(160)161)104(172)145-82(52-63(10)11)115(183)153-46-29-37-87(153)110(178)149-91(64(12)13)111(179)139-72(32-23-24-41-120)97(165)136-74(35-27-44-130-119(126)127)98(166)135-73(34-26-43-129-118(124)125)96(164)133-67(16)116(184)185)150-99(167)75(38-39-89(158)159)137-106(174)84(57-155)147-113(181)93(68(17)156)151-105(173)79(51-62(8)9)142-101(169)77(49-60(4)5)140-100(168)76(48-59(2)3)141-102(170)78(50-61(6)7)143-108(176)85(58-186)148-107(175)83(56-154)146-103(171)80(53-69-30-21-20-22-31-69)134-88(157)55-131-95(163)71(33-25-42-128-117(122)123)138-109(177)86-36-28-45-152(86)114(182)66(15)132-94(162)70(121)40-47-187-18/h20-22,30-31,59-68,70-87,91-93,154-156,186H,19,23-29,32-58,120-121H2,1-18H3,(H,131,163)(H,132,162)(H,133,164)(H,134,157)(H,135,166)(H,136,165)(H,137,174)(H,138,177)(H,139,179)(H,140,168)(H,141,170)(H,142,169)(H,143,176)(H,144,180)(H,145,172)(H,146,171)(H,147,181)(H,148,175)(H,149,178)(H,150,167)(H,151,173)(H,158,159)(H,160,161)(H,184,185)(H4,122,123,128)(H4,124,125,129)(H4,126,127,130)/t65-,66-,67-,68+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,91-,92-,93-/m0/s1
PubChem CID	56947109
ChEMBL	N/A
IUPHAR	1047
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
553577	Formyl peptide receptor 2	O88536	Fpr2	Mus musculus (Mouse)	351
553576	N-formyl peptide receptor 2	P25090	FPR2	Homo sapiens (Human)	351
553578	N-formyl peptide receptor 3	P25089	FPR3	Homo sapiens (Human)	353

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