You can:
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 |
Name | Olcegepant |
---|---|
Molecular formula | C38H47Br2N9O5 |
IUPAC name | N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide |
Molecular weight | 869.66 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 5 |
XlogP | 3.1 |
Synonyms | 1-[3,5-Dibromo-N-[[4-(1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl]-D-tyrosyl-L-lysyl]-4-(4-pyridinyl)-piperazine BIBN 4096 BS HY-10095 UNII-WOA5J8TX6M BIBN-4096;BIBN-4096BS;BIBN4096BS;BIBN 4096BS [ Show all ] |
Inchi Key | ITIXDWVDFFXNEG-JHOUSYSJSA-N |
Inchi ID | InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 |
PubChem CID | 6918509 |
ChEMBL | CHEMBL207197 |
IUPHAR | N/A |
BindingDB | 50184069 |
DrugBank | DB04869 |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
N/A | N/A | DrugBank | |
EC50 | 0.026 nM | PMID24794104 | BindingDB |
EC50 | 0.026 nM | PMID24794104 | ChEMBL |
IC50 | 0.02 nM | PMID22732695 | BindingDB,ChEMBL |
IC50 | 0.03 nM | PMID24960305 | BindingDB |
IC50 | 0.03 nM | PMID24960305 | ChEMBL |
IC50 | 4.0 nM | PMID24405707 | ChEMBL |
IC50 | 4.0 nM | PMID24405707 | BindingDB |
Kd | 0.03981 nM | PMID24960305 | ChEMBL |
Kd | 0.07943 nM | PMID24960305 | ChEMBL |
Ki | 0.01 nM | PMID24405707, PMID23632269 | BindingDB |
Ki | 0.01 nM | PMID24900474, PMID24405707, PMID23632269 | BindingDB,ChEMBL |
Ki | 0.014 nM | PMID24960305, PMID22607672 | BindingDB |
Ki | 0.014 nM | PMID24960305, PMID22607672 | ChEMBL |
Ratio Ki | 150.0 - | PMID24794104 | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218