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GPCR

Name	5-hydroxytryptamine receptor 7
Species	Rattus norvegicus (Rat)
Gene	Htr7
Synonym	GPRFO 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled 5-HTx 5-HT7 receptor 5-HT7 5-HT1Y 5-HT-X 5-HT-7 Serotonin receptor 7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	448
Amino acid sequence	MMDVNSSGRPDLYGHLRSLILPEVGRGLQDLSPDGGAHPVVSSWMPHLLSGFLEVTASPAPTWDAPPDNVSGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVQPESVISLNGVVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERSEFVLQNSDHCGKKGHDT
UniProt	P32305
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	CHEMBL3223
IUPHAR	12
DrugBank	N/A

Ligand

Name	(+)-Butaclamol
Molecular formula	C25H31NO
IUPAC name	(1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol
Molecular weight	361.529
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.0
Synonyms	Lopac0_000475 ZINC2008410 3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol((+)-Butaclamol) BPBio1_001177 BUTACLAMOL, (-) D0O7DA NCGC00162085-04 (1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.0^{3,8}.0^{9,22}.0^{16,21}]docosa-9,11,13(22),16,18,20-hexaen-6-ol 56245-67-1 CCG-204282 HMS2089C08 SCHEMBL122821 3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol BDBM50008735 CHEMBL8514 LS-33801 ZZJYIKPMDIWRSN-HWBMXIPRSA-N (+/-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol 3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol(Butaclamol) BRD-K20620780-001-01-0 BUTACLAMOL,(+) EN002629 PDSP2_000547 (S)-(-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol CHEBI:109533 Lopac0_000187 UNII-A7A2802VNL component ZZJYIKPMDIWRSN-HWBMXIPRSA-N (+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol 3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol ((+)-butaclamol) Biomol-NT_000018 d-Butaclamol NCGC00162085-03 (+/-)-Butaclamol hydrochloride BUTACLAMOL BUTACLAMOL,d- GTPL62 PDSP2_001512 1H-Benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isoquinolin-3-ol, 2,3,4,4a,8,9,13b,14-octahydro-3-(1,1-dimethylethyl)-, (3S-(3-alpha,4a-alpha,13b-beta))- AC1L1XRQ [ Show all ]
Inchi Key	ZZJYIKPMDIWRSN-HWBMXIPRSA-N
Inchi ID	InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
PubChem CID	37459
ChEMBL	CHEMBL8514
IUPHAR	62
BindingDB	50008735
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	63.0 nM	PMID10843226	BindingDB
Ki	63.1 nM	PMID10843226	ChEMBL
Ki	89.12 nM	PMID7984267	BindingDB
Ki	90.0 nM	PMID8397408	BindingDB
Ki	100.0 nM	PMID8397408	IUPHAR

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