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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Vasoactive intestinal polypeptide receptor 2
Species	Homo sapiens (Human)
Gene	VIPR2
Synonym	VPAC2 VIP-R-2 VIP and PACAP receptor 2 PVR3 Pituitary adenylate cyclase-activating polypeptide type III receptor PACAP-R3 PACAP-R-3 PACAP type III receptor Helodermin-preferring VIP receptor VPAC2 receptor [ Show all ]
Disease	Unspecified Chronic obstructive pulmonary disease Hypertension
Length	438
Amino acid sequence	MRTLLPPALLTCWLLAPVNSIHPECRFHLEIQEEETKCAELLRSQTEKHKACSGVWDNITCWRPANVGETVTVPCPKVFSNFYSKAGNISKNCTSDGWSETFPDFVDACGYSDPEDESKITFYILVKAIYTLGYSVSLMSLATGSIILCLFRKLHCTRNYIHLNLFLSFILRAISVLVKDDVLYSSSGTLHCPDQPSSWVGCKLSLVFLQYCIMANFFWLLVEGLYLHTLLVAMLPPRRCFLAYLLIGWGLPTVCIGAWTAARLYLEDTGCWDTNDHSVPWWVIRIPILISIIVNFVLFISIIRILLQKLTSPDVGGNDQSQYKRLAKSTLLLIPLFGVHYMVFAVFPISISSKYQILFELCLGSFQGLVVAVLYCFLNSEVQCELKRKWRSRCPTPSASRDYRVCGSSFSRNGSEGALQFHRGSRAQSFLQTETSVI
UniProt	P41587
Protein Data Bank	N/A
GPCR-HGmod model	P41587
3D structure model	This predicted structure model is from GPCR-EXP P41587.
BioLiP	N/A
Therapeutic Target Database	T06182
ChEMBL	CHEMBL4532
IUPHAR	372
DrugBank	N/A

Ligand

Name	CHEMBL3975462
Molecular formula	C30H32N2O4
IUPAC name	N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-ethenylbenzamide
Molecular weight	484.596
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	3.9
Synonyms	SCHEMBL15714636
Inchi Key	BOQQBTIZFWRGGE-PSXRRJEGSA-N
Inchi ID	InChI=1S/C30H32N2O4/c1-2-20-12-14-22(15-13-20)29(35)31-19-25(33)17-24(16-21-8-4-3-5-9-21)30(36)32-28-26-11-7-6-10-23(26)18-27(28)34/h2-15,24-25,27-28,33-34H,1,16-19H2,(H,31,35)(H,32,36)/t24-,25+,27-,28+/m1/s1
PubChem CID	90154704
ChEMBL	CHEMBL3975462
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	1.8 %	None	ChEMBL
Inhibition	2.3 %	None	ChEMBL
Inhibition	16.1 %	None	ChEMBL
Inhibition	16.5 %	None	ChEMBL
Inhibition	23.8 %	None	ChEMBL
Inhibition	47.5 %	None	ChEMBL

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