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GPCR

Name	Corticotropin-releasing factor receptor 1
Species	Rattus norvegicus (Rat)
Gene	Crhr1
Synonym	CRH-R1 CRH-R-1 CRFR1 CRFR-1 CRF1 receptor CRF-RA CRF-R1alpha CRF-R1 CRF-R-1 CRF-R CRF 1 receptor Corticotropin-releasing hormone receptor 1 CRHR [ Show all ]
Disease	N/A for non-human GPCRs
Length	415
Amino acid sequence	MGRRPQLRLVKALLLLGLNPVSTSLQDQRCENLSLTSNVSGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRSIRCLRNIIHWNLISAFILRNATWFVVQLTVSPEVHQSNVAWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFVCIGWGVPFPIIVAWAIGKLHYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWRRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProt	P35353
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4649
IUPHAR	212
DrugBank	N/A

Ligand

Name	CHEMBL168162
Molecular formula	C28H30N6O2
IUPAC name	(4S,9S)-N-[(1R,2R)-2-aminocyclohexyl]-24-hydroxy-3,10,14,16-tetrazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1(24),2,11,13,15,17(25),18,20,22-nonaene-12-carboxamide
Molecular weight	482.588
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	3.1
Synonyms	BDBM50075918 N-[(1R)-2alpha-Aminocyclohexane-1beta-yl]-5,6-[imino(cyclohexane-1alpha,2beta-diyl)imino]-7-oxo-7H-benzo[e]perimidine-4-carboxamide 8N-[2-amino-(1R,2R)-cyclohexyl]-15-oxo-(9aS,13aS)-11,12,13,15-tetrahydro-10H-benzo[7,8]quinazolino[5,4-ab]phenazine-8-carboxamide
Inchi Key	WZNQIZZZHGHTTJ-YRXWBPOGSA-N
Inchi ID	InChI=1S/C28H30N6O2/c29-16-9-3-4-10-17(16)34-28(36)22-24-20-21(25-26(22)33-19-12-6-5-11-18(19)32-25)27(35)15-8-2-1-7-14(15)23(20)30-13-31-24/h1-2,7-8,13,16-19,33,35H,3-6,9-12,29H2,(H,34,36)/t16-,17-,18+,19+/m1/s1
PubChem CID	135958362
ChEMBL	CHEMBL168162
IUPHAR	N/A
BindingDB	50075918
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	180.0 nM	PMID10201844	BindingDB,ChEMBL

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