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Name | Calcitonin gene-related peptide type 1 receptor |
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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 |
Name | CHEMBL2430166 |
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Molecular formula | C37H43N7O3 |
IUPAC name | [1-(7-cyclohexyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate |
Molecular weight | 633.797 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.8 |
Synonyms | AMWSJQSAVVUQOG-UHFFFAOYSA-N (+/-)-1-(7-Cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate BDBM50441044 SCHEMBL15648103 |
Inchi Key | AMWSJQSAVVUQOG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C37H43N7O3/c1-24-17-25(18-28-21-39-41-34(24)28)19-33(35-38-22-30-23-43(15-16-44(30)35)29-8-3-2-4-9-29)47-37(46)42-13-11-26(12-14-42)31-20-27-7-5-6-10-32(27)40-36(31)45/h5-7,10,17-18,20-22,26,29,33H,2-4,8-9,11-16,19,23H2,1H3,(H,39,41)(H,40,45) |
PubChem CID | 72191391 |
ChEMBL | CHEMBL2430166 |
IUPHAR | N/A |
BindingDB | 50441044 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
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IC50 | 0.22 nM | , PMID23993336 | BindingDB,ChEMBL |
IC50 | 0.22 nM | PMID23993336 | BindingDB |
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