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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 | CHEMBL2018357 |
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Molecular formula | C33H50N6O4 |
IUPAC name | (2S)-2-[(4-hydroxycyclohexyl)amino]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione |
Molecular weight | 594.801 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 2.4 |
Synonyms | BDBM50380837 SCHEMBL13052679 |
Inchi Key | AYLBMSKJSZBJAD-HMNPYRHBSA-N |
Inchi ID | InChI=1S/C33H50N6O4/c40-28-10-8-25(9-11-28)34-30(32(42)38-20-12-26(13-21-38)36-16-4-1-5-17-36)22-31(41)37-18-14-27(15-19-37)39-23-24-6-2-3-7-29(24)35-33(39)43/h2-3,6-7,25-28,30,34,40H,1,4-5,8-23H2,(H,35,43)/t25?,28?,30-/m0/s1 |
PubChem CID | 58864520 |
ChEMBL | CHEMBL2018357 |
IUPHAR | N/A |
BindingDB | 50380837 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 4500.0 nM | PMID22429471 | BindingDB,ChEMBL |
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