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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 | CHEMBL374251 |
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Molecular formula | C26H20F3N7O4 |
IUPAC name | N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]benzimidazol-1-yl]acetamide |
Molecular weight | 551.486 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 2.0 |
Synonyms | N-[(4R)-3-methyl-2,5-dioxo-1'',3''-dihydrospiro[imidazolidine-4,2''-indene]-5''-yl]-2-{2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetamide BDBM50195952 |
Inchi Key | CBYMKRJSUMRSHK-RUZDIDTESA-N |
Inchi ID | InChI=1S/C26H20F3N7O4/c1-34-23(39)33-21(38)25(34)11-14-6-7-16(10-15(14)12-25)31-20(37)13-35-17-4-2-3-5-18(17)36(24(35)40)22-30-9-8-19(32-22)26(27,28)29/h2-10H,11-13H2,1H3,(H,31,37)(H,33,38,39)/t25-/m1/s1 |
PubChem CID | 44420250 |
ChEMBL | CHEMBL374251 |
IUPHAR | N/A |
BindingDB | 50195952 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 50.0 nM | PMID17027263 | BindingDB,ChEMBL |
Ki | 10.0 nM | PMID17027263 | BindingDB,ChEMBL |
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