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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	BDBM50368404
Molecular formula	C112H174N36O27
IUPAC name	(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
Molecular weight	2456.85
Hydrogen bond acceptor	33
Hydrogen bond donor	41
XlogP	-3.6
Synonyms	N/A
Inchi Key	KPPFDQVOSMXZBV-RRMDRAMYSA-N
Inchi ID	InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
PubChem CID	57339558
ChEMBL	CHEMBL409167
IUPHAR	N/A
BindingDB	50368404, 82285
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
556172	Neuropeptide FF receptor 2	Q9Y5X5	NPFFR2	Homo sapiens (Human)	522
175010	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384
175012	Neuropeptide Y receptor type 1	P21555	Npy1r	Rattus norvegicus (Rat)	382
175014	Neuropeptide Y receptor type 1	Q9WVD0	NPY1R	Cavia porcellus (Guinea pig)	383
175011	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
175013	Neuropeptide Y receptor type 2	Q9Z2D5	NPY2R	Cavia porcellus (Guinea pig)	381
556171	Neuropeptide Y receptor type 5	Q63634	Npy5r	Rattus norvegicus (Rat)	445
556173	Neuropeptide Y receptor type 5	Q15761	NPY5R	Homo sapiens (Human)	445
556174	Prolactin-releasing peptide receptor	P49683	PRLHR	Homo sapiens (Human)	370

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