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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	BDBM50445115
Molecular formula	C163H263N45O44
IUPAC name	(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,5S,8S,11S,16Z,22S)-22-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-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]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-8-(2-amino-2-oxoethyl)-2-[(4-hydroxyphenyl)methyl]-11,22-dimethyl-5-(2-methylpropyl)-3,6,9,23-tetraoxo-1,4,7,10-tetrazacyclotricos-16-ene-11-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]hexanoic acid
Molecular weight	3557.17
Hydrogen bond acceptor	51
Hydrogen bond donor	50
XlogP	-12.5
Synonyms	N/A
Inchi Key	JKPHPIBZUUFIGR-AGLDSYMNSA-N
Inchi ID	InChI=1S/C163H263N45O44/c1-21-87(13)127(153(245)182-90(16)132(224)201-125(85(9)10)151(243)188-103(45-33-38-62-165)149(241)207-162(19)59-35-27-25-23-24-26-28-36-60-163(20,208-150(242)114(75-121(171)217)194-141(233)107(67-83(5)6)190-143(235)111(200-158(162)251)71-95-51-55-98(213)56-52-95)159(252)206-128(88(14)22-2)154(246)196-108(68-84(7)8)142(234)192-112(73-119(169)215)134(226)179-79-122(218)183-105(157(249)250)46-34-39-63-166)203-138(230)104(57-58-118(168)214)186-135(227)100(44-32-37-61-164)184-136(228)101(47-40-64-177-160(172)173)185-140(232)106(66-82(3)4)189-137(229)102(48-41-65-178-161(174)175)187-155(247)129(91(17)210)204-146(238)109(70-94-49-53-97(212)54-50-94)191-144(236)113(74-120(170)216)193-145(237)116(77-124(221)222)198-156(248)130(92(18)211)205-147(239)110(69-93-42-30-29-31-43-93)197-152(244)126(86(11)12)202-131(223)89(15)181-139(231)115(76-123(219)220)195-148(240)117(80-209)199-133(225)99(167)72-96-78-176-81-180-96/h23-24,29-31,42-43,49-56,78,81-92,99-117,125-130,209-213H,21-22,25-28,32-41,44-48,57-77,79-80,164-167H2,1-20H3,(H2,168,214)(H2,169,215)(H2,170,216)(H2,171,217)(H,176,180)(H,179,226)(H,181,231)(H,182,245)(H,183,218)(H,184,228)(H,185,232)(H,186,227)(H,187,247)(H,188,243)(H,189,229)(H,190,235)(H,191,236)(H,192,234)(H,193,237)(H,194,233)(H,195,240)(H,196,246)(H,197,244)(H,198,248)(H,199,225)(H,200,251)(H,201,224)(H,202,223)(H,203,230)(H,204,238)(H,205,239)(H,206,252)(H,207,241)(H,208,242)(H,219,220)(H,221,222)(H,249,250)(H4,172,173,177)(H4,174,175,178)/b24-23-/t87-,88-,89-,90-,91+,92+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,125-,126-,127-,128-,129-,130-,162-,163-/m0/s1
PubChem CID	91898619
ChEMBL	CHEMBL3105019
IUPHAR	N/A
BindingDB	50445115
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
153211	Vasoactive intestinal polypeptide receptor 2	P41587	VIPR2	Homo sapiens (Human)	438

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