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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	[Ind6]PACAP27
Molecular formula	C142H222N40O39S
IUPAC name	(3S)-4-[[2-[[(2S,3S)-1-[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Molecular weight	3145.64
Hydrogen bond acceptor	47
Hydrogen bond donor	45
XlogP	-11.3
Synonyms	BDBM50250090
Inchi Key	UJPZTCQQNJJMDP-FXUVBOKESA-N
Inchi ID	InChI=1S/C142H222N40O39S/c1-16-74(10)113(178-108(191)65-156-120(201)100(62-109(192)193)173-134(215)102(66-183)175-119(200)87(146)61-83-64-153-69-157-83)140(221)182-105-33-18-17-27-82(105)60-106(182)136(217)181-114(78(14)186)139(220)174-101(63-110(194)195)132(213)177-104(68-185)135(216)172-99(59-81-38-44-86(189)45-39-81)131(212)176-103(67-184)133(214)164-92(32-26-53-155-142(151)152)126(207)170-97(57-79-34-40-84(187)41-35-79)129(210)163-91(31-25-52-154-141(149)150)124(205)161-88(28-19-22-49-143)122(203)165-93(46-47-107(147)190)127(208)166-94(48-54-222-15)121(202)159-77(13)118(199)179-111(72(6)7)137(218)167-90(30-21-24-51-145)123(204)162-89(29-20-23-50-144)125(206)171-98(58-80-36-42-85(188)43-37-80)130(211)169-96(56-71(4)5)128(209)160-75(11)116(197)158-76(12)117(198)180-112(73(8)9)138(219)168-95(115(148)196)55-70(2)3/h17-18,27,33-45,64,69-78,87-104,106,111-114,183-189H,16,19-26,28-32,46-63,65-68,143-146H2,1-15H3,(H2,147,190)(H2,148,196)(H,153,157)(H,156,201)(H,158,197)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,214)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,216)(H,173,215)(H,174,220)(H,175,200)(H,176,212)(H,177,213)(H,178,191)(H,179,199)(H,180,198)(H,181,217)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155)/t74-,75-,76-,77-,78+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,106?,111-,112-,113-,114-/m0/s1
PubChem CID	91935874
ChEMBL	CHEMBL525453
IUPHAR	N/A
BindingDB	50250090
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
338370	Pituitary adenylate cyclase-activating polypeptide type I receptor	P41586	ADCYAP1R1	Homo sapiens (Human)	468

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