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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	CHEMBL153038
Molecular formula	C26H24ClN3O2
IUPAC name	3-chloro-4-hydroxy-N-[(E)-[1-[(4-propan-2-ylphenyl)methyl]indol-4-yl]methylideneamino]benzamide
Molecular weight	445.947
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.9
Synonyms	3-Chloro-4-hydroxy-benzoic acid [1-(4-isopropyl-benzyl)-1H-indol-4-ylmethylene]-hydrazide BDBM50110055 N''-((1-(4-isopropylbenzyl)-1H-indol-4-yl)methylene)-3-chloro-4-hydroxybenzohydrazide 3-Chloro-4-hydroxy-benzoic acid [1-[1-(4-isopropyl-benzyl)-1H-indol-4-yl]-meth-(E)-ylidene]-hydrazide
Inchi Key	JJGVEWLQTOEULJ-RWPZCVJISA-N
Inchi ID	InChI=1S/C26H24ClN3O2/c1-17(2)19-8-6-18(7-9-19)16-30-13-12-22-21(4-3-5-24(22)30)15-28-29-26(32)20-10-11-25(31)23(27)14-20/h3-15,17,31H,16H2,1-2H3,(H,29,32)/b28-15+
PubChem CID	9824797
ChEMBL	CHEMBL153038
IUPHAR	N/A
BindingDB	50110055
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	604.0 nM	PMID18272364	BindingDB,ChEMBL

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