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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Calcitonin receptor
Species	Homo sapiens (Human)
Gene	CALCR
Synonym	CTRI1- CTR2 CTR CT-R CT receptor calcitonin receptor C1A/C1B [ Show all ]
Disease	Pain; Postmenopausal osteoporosis Paget's disease Hypertension Osteoporosis
Length	508
Amino acid sequence	MQFSGEKISGQRDLQKSKMRFTFTSRCLALFLLLNHPTPILPAFSNQTYPTIEPKPFLYVVGRKKMMDAQYKCYDRMQQLPAYQGEGPYCNRTWDGWLCWDDTPAGVLSYQFCPDYFPDFDPSEKVTKYCDEKGVWFKHPENNRTWSNYTMCNAFTPEKLKNAYVLYYLAIVGHSLSIFTLVISLGIFVFFRKLTTIFPLNWKYRKALSLGCQRVTLHKNMFLTYILNSMIIIIHLVEVVPNGELVRRDPVSCKILHFFHQYMMACNYFWMLCEGIYLHTLIVVAVFTEKQRLRWYYLLGWGFPLVPTTIHAITRAVYFNDNCWLSVETHLLYIIHGPVMAALVVNFFFLLNIVRVLVTKMRETHEAESHMYLKAVKATMILVPLLGIQFVVFPWRPSNKMLGKIYDYVMHSLIHFQGFFVATIYCFCNNEVQTTVKRQWAQFKIQWNQRWGRRPSNRSARAAAAAAEAGDIPIYICHQEPRNEPANNQGEESAEIIPLNIIEQESSA
UniProt	P30988
Protein Data Bank	6niy, 5ii0
GPCR-HGmod model	P30988
3D structure model	This structure is from PDB ID 6niy.
BioLiP	BL0346076,BL0346077,BL0346078, BL0438754
Therapeutic Target Database	T32247
ChEMBL	CHEMBL1832
IUPHAR	43
DrugBank	N/A

Ligand

Name	BMS-694153
Molecular formula	C35H45FN8O3
IUPAC name	4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
Molecular weight	644.796
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.6
Synonyms	BDBM50268484 (R)-N-(1-(1,4''-bipiperidin-1''-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl)-4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide UNII-69MB5VHL5J BMS 694153 1-Piperidinecarboxamide, N-((1R)-2-(1,4'-bipiperidin)-1'-yl-1-((7-methyl-1H-indazol-5-yl)methyl)-2-oxoethyl)-4-(8-fluoro-1,4-dihydro-2-oxo-3(2H)-quinazolinyl)- CHEMBL450668 69MB5VHL5J (R)-4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl)piperidine-1-carboxamide 1050381-35-5 D05MSG [ Show all ]
Inchi Key	HBOINTMVWRSZQS-SSEXGKCCSA-N
Inchi ID	InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1
PubChem CID	44593666
ChEMBL	CHEMBL450668
IUPHAR	N/A
BindingDB	50268484
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<5000.0 nM	PMID18665579	BindingDB,ChEMBL

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