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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	CHEMBL2087421
Molecular formula	C24H40N4O5S
IUPAC name	4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
Molecular weight	496.667
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	1.6
Synonyms	BDBM50420580 SCHEMBL3997134
Inchi Key	TYDKAHFZLFMNQX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H40N4O5S/c1-19-16-22(32-5)17-20(2)24(19)34(30,31)26(4)14-15-33-18-23(29)28-12-10-27(11-13-28)21-6-8-25(3)9-7-21/h16-17,21H,6-15,18H2,1-5H3
PubChem CID	11340940
ChEMBL	CHEMBL2087421
IUPHAR	N/A
BindingDB	50420580
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	-4.0 %	PMID22369198	ChEMBL

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