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GLASS

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GPCR

Name	Pituitary adenylate cyclase-activating polypeptide type I receptor
Species	Homo sapiens (Human)
Gene	ADCYAP1R1
Synonym	PACAPR1 pituitary adenylate cyclase activating polypeptide 1 receptor (1) PACAP1-R PACAP-R1 PACAP-R-1 PACAP type IA receptor PACAP type I receptor PACAP receptor 1 PAC1R PAC1 receptor adenylate cyclase activating polypeptide 1 receptor type 1 adenylate cyclase activating polypeptide 1 receptor 1 PVR1 [ Show all ]
Disease	N/A
Length	468
Amino acid sequence	MAGVVHVSLAALLLLPMAPAMHSDCIFKKEQAMCLEKIQRANELMGFNDSSPGCPGMWDNITCWKPAHVGEMVLVSCPELFRIFNPDQVWETETIGESDFGDSNSLDLSDMGVVSRNCTEDGWSEPFPHYFDACGFDEYESETGDQDYYYLSVKALYTVGYSTSLVTLTTAMVILCRFRKLHCTRNFIHMNLFVSFMLRAISVFIKDWILYAEQDSNHCFISTVECKAVMVFFHYCVVSNYFWLFIEGLYLFTLLVETFFPERRYFYWYTIIGWGTPTVCVTVWATLRLYFDDTGCWDMNDSTALWWVIKGPVVGSIMVNFVLFIGIIVILVQKLQSPDMGGNESSIYLRLARSTLLLIPLFGIHYTVFAFSPENVSKRERLVFELGLGSFQGFVVAVLYCFLNGEVQAEIKRKWRSWKVNRYFAVDFKHRHPSLASSGVNGGTQLSILSKSSSQIRMSGLPADNLAT
UniProt	P41586
Protein Data Bank	3n94
GPCR-HGmod model	P41586
3D structure model	This structure is from PDB ID 3n94.
BioLiP	BL0183307
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5399
IUPHAR	370
DrugBank	N/A

Ligand

Name	CHEMBL348785
Molecular formula	C26H27ClN2O5
IUPAC name	3-chloro-N-[(E)-[3,5-dimethoxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]methylideneamino]-4-hydroxybenzamide
Molecular weight	482.961
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.6
Synonyms	BDBM50110068 N''-(4-(4-isopropylbenzyloxy)-3,5-dimethoxybenzylidene)-3-chloro-4-hydroxybenzohydrazide 3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl-benzyloxy)-3,5-dimethoxy-phenyl]-meth-(E)-ylidene]-hydrazide SCHEMBL2663833
Inchi Key	ZGRAABYQGYPWLS-CCVNUDIWSA-N
Inchi ID	InChI=1S/C26H27ClN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-25-23(32-3)11-18(12-24(25)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+
PubChem CID	44373782
ChEMBL	CHEMBL348785
IUPHAR	N/A
BindingDB	50110068
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	56.0 nM	PMID18272364	BindingDB,ChEMBL

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