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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	BDBM86051
Molecular formula	C144H244N44O38
IUPAC name	(3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	3199.81
Hydrogen bond acceptor	46
Hydrogen bond donor	47
XlogP	-11.8
Synonyms	[Lys15, Arg16, Leu27]VIP(1-7)GRF(8-27)
Inchi Key	GZXPSICRXGKKKB-IJXNSXOSSA-N
Inchi ID	InChI=1S/C144H244N44O38/c1-20-78(16)113(140(225)173-95(115(151)200)56-71(2)3)187-134(219)103(65-110(198)199)178-124(209)93(46-48-107(149)194)171-128(213)96(57-72(4)5)176-130(215)97(58-73(6)7)174-122(207)88(37-25-29-51-146)166-120(205)91(40-32-54-160-143(154)155)165-116(201)79(17)164-135(220)104(67-189)184-131(216)98(59-74(8)9)175-123(208)89(39-27-31-53-159-142(152)153)167-119(204)87(36-24-28-50-145)169-129(214)99(60-75(10)11)180-139(224)112(77(14)15)186-126(211)90(38-26-30-52-147)168-121(206)92(41-33-55-161-144(156)157)170-132(217)100(62-83-42-44-85(193)45-43-83)177-137(222)106(69-191)183-125(210)94(47-49-108(150)195)172-141(226)114(81(19)192)188-133(218)101(61-82-34-22-21-23-35-82)181-138(223)111(76(12)13)185-117(202)80(18)163-127(212)102(64-109(196)197)179-136(221)105(68-190)182-118(203)86(148)63-84-66-158-70-162-84/h21-23,34-35,42-45,66,70-81,86-106,111-114,189-193H,20,24-33,36-41,46-65,67-69,145-148H2,1-19H3,(H2,149,194)(H2,150,195)(H2,151,200)(H,158,162)(H,163,212)(H,164,220)(H,165,201)(H,166,205)(H,167,204)(H,168,206)(H,169,214)(H,170,217)(H,171,213)(H,172,226)(H,173,225)(H,174,207)(H,175,208)(H,176,215)(H,177,222)(H,178,209)(H,179,221)(H,180,224)(H,181,223)(H,182,203)(H,183,210)(H,184,216)(H,185,202)(H,186,211)(H,187,219)(H,188,218)(H,196,197)(H,198,199)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t78-,79-,80-,81+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
PubChem CID	91899076
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86051
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
555900	Vasoactive intestinal polypeptide receptor 1	P32241	VIPR1	Homo sapiens (Human)	457
109582	Vasoactive intestinal polypeptide receptor 2	P41587	VIPR2	Homo sapiens (Human)	438

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