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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL2024587
Molecular formula	C31H34N6O2
IUPAC name	3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(5-methylpyridin-2-yl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
Molecular weight	522.653
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.7
Synonyms	SCHEMBL4504803 BDBM50382757
Inchi Key	BFYVDPGLTOOFNJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H34N6O2/c1-20-7-8-27(32-17-20)24(14-22-13-21(2)30-25(15-22)18-33-35-30)16-29(38)36-11-9-26(10-12-36)37-19-23-5-3-4-6-28(23)34-31(37)39/h3-8,13,15,17-18,24,26H,9-12,14,16,19H2,1-2H3,(H,33,35)(H,34,39)
PubChem CID	11785754
ChEMBL	CHEMBL2024587
IUPHAR	N/A
BindingDB	50382757
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	12.0 nM	PMID22429470	BindingDB,ChEMBL
IC50	18.0 nM	PMID22429470	BindingDB,ChEMBL

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