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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Calcitonin gene-related peptide type 1 receptor
Species	Homo sapiens (Human)
Gene	CALCRL
Synonym	CRLR CLR (unofficial abbreviation in common use) CGRP type 1 receptor Calcitonin receptor-like receptor
Disease	Migraine; Cluster headaches Migraine
Length	461
Amino acid sequence	MEKKCTLNFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQKIMQDPIQQAEGVYCNRTWDGWLCWNDVAAGTESMQLCPDYFQDFDPSEKVTKICDQDGNWFRHPASNRTWTNYTQCNVNTHEKVKTALNLFYLTIIGHGLSIASLLISLGIFFYFKSLSCQRITLHKNLFFSFVCNSVVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLIPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLIPWRPEGKIAEEVYDYIMHILMHFQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNSFSNSEALRSASYTVSTISDGPGYSHDCPSEHLNGKSIHDIENVLLKPENLYN
UniProt	Q16602
Protein Data Bank	3n7r, 6e3y, 6d1u, 5v6y, 4rwg, 4rwf, 3n7s
GPCR-HGmod model	Q16602
3D structure model	This structure is from PDB ID 3n7r.
BioLiP	BL0314647, BL0314642, BL0314643,BL0314645,BL0314648, BL0314644,BL0314646,BL0314649, BL0403127,BL0403130,BL0403133,, BL0403128,BL0403131,BL0403134,, BL0403129,BL0403132,BL0403135,, BL0425957,BL0425959,BL0425961, BL0425958,BL0425960,BL0425962, BL0427207,BL0427208, BL0314641, BL0183084, BL0183083, BL0183080, BL0183079
Therapeutic Target Database	T32262
ChEMBL	CHEMBL3798
IUPHAR	N/A
DrugBank	BE0009009

Ligand

Name	CHEMBL2022599
Molecular formula	C34H33N7O3
IUPAC name	[2-(7-methyl-1H-indazol-5-yl)-1-(4-pyridin-4-ylpyridin-2-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
Molecular weight	587.684
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	BDBM50382777
Inchi Key	CSXMXFZBUVVXPK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H33N7O3/c1-22-16-23(17-27-20-37-39-32(22)27)18-31(30-19-25(8-13-36-30)24-6-11-35-12-7-24)44-34(43)40-14-9-28(10-15-40)41-21-26-4-2-3-5-29(26)38-33(41)42/h2-8,11-13,16-17,19-20,28,31H,9-10,14-15,18,21H2,1H3,(H,37,39)(H,38,42)
PubChem CID	70689756
ChEMBL	CHEMBL2022599
IUPHAR	N/A
BindingDB	50382777
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.27 nM	PMID22429470	BindingDB,ChEMBL

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