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GPCR

Name	5-hydroxytryptamine receptor 1F
Species	Homo sapiens (Human)
Gene	HTR1F
Synonym	5-hydroxytryptamine (serotonin) receptor 1F, G protein-coupled serotonin receptor 1F 5-HT-1F 5-HT1Ebeta HTR1EL 5-HT1F 5-HT1F receptor 5-HT6 [ Show all ]
Disease	Migraine
Length	366
Amino acid sequence	MDFLNSSDQNLTSEELLNRMPSKILVSLTLSGLALMTTTINSLVIAAIIVTRKLHHPANYLICSLAVTDFLVAVLVMPFSIVYIVRESWIMGQVVCDIWLSVDITCCTCSILHLSAIALDRYRAITDAVEYARKRTPKHAGIMITIVWIISVFISMPPLFWRHQGTSRDDECIIKHDHIVSTIYSTFGAFYIPLALILILYYKIYRAAKTLYHKRQASRIAKEEVNGQVLLESGEKSTKSVSTSYVLEKSLSDPSTDFDKIHSTVRSLRSEFKHEKSWRRQKISGTRERKAATTLGLILGAFVICWLPFFVKELVVNVCDKCKISEEMSNFLAWLGYLNSLINPLIYTIFNEDFKKAFQKLVRCRC
UniProt	P30939
Protein Data Bank	N/A
GPCR-HGmod model	P30939
3D structure model	This predicted structure model is from GPCR-EXP P30939.
BioLiP	N/A
Therapeutic Target Database	T78656
ChEMBL	CHEMBL1805
IUPHAR	5
DrugBank	BE0000460, BE0004958

Ligand

Name	CHEBI:48565
Molecular formula	C21H26N2O3
IUPAC name	methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight	354.45
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.9
Synonyms	NCI60_003876 Rauhimbin Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17beta)- 1,2,3,4,4a,5,7,8,13,13b,14,14a-Dodecahydro-2-hydroxy-1-(methoxycarbonyl)benz[g]indolo[2,3-a]quinolizine ACon1_000625 BLGXFZZNTVWLAY-UHFFFAOYSA-N CTK6I8789 MEGxp0_001106 MLS000863574 NSC-93133 SCHEMBL564022 Yohimban-16.alpha.-carboxylic acid, 17.alpha.-hydroxy-, methyl ester 4-METHOXY-BETA-OXO-BENZENEBUTANENITRILE Amsonine CAS_146-48-5 HMS3370N12 methyl 17-hydroxy-20xi-yohimban-16-carboxylate NCGC00015878-04 NCI60_001630 NSC93133 Yohimban-16-alpha-carboxylic acid, 17-beta-hydroxy-, methyl ester Yohimban-16alpha-carboxylic acid, 17beta-hydroxy-, methyl ester AC1L1ENB BDBM86230 Corynanthin LS-162739 Methyl 17-hydroxyyohimban-16-carboxylate (HCl) NSC 93133 SC-26067 Yohimban-16-carboxylic acid, methyl ester, (16.alpha.,17.beta.)- 1071758-83-2 AKOS005612952 BRD-A51410489-001-01-4 EINECS 208-977-7 MEGxp0_002061 MolPort-001-741-269 NSC19509 SMR000440723 Yohimban-16.alpha.-carboxylic acid, methyl ester 4CN-1339 AN-51049 HMS3372A16 Methyl 17-hydroxyyohimban-16-carboxylate NCGC00015878-06!methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate NCI60_003875 NSC_2866 Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16-alpha,17-beta)- Yohimbol-16.alpha.-carboxylic acid, methyl ester .beta.-Yohimbine ACon1_000583 beta-Yohimbin COYNANTHINE MCULE-4993391700 MFCD00066744 NSC-407306 SC-35458 Yohimban-16-carboxylic acid, methyl ester, (16.beta.,17.alpha.)- 2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester Amsonin BRD-A51410489-003-02-8 HMS2269J09 Methyl (16alpha,17beta)-17-hydroxyyohimban-16-carboxylate NCGC00015878-03 NCGC00015878-08 NSC407306 STK801336 Yohimban-16.beta.-carboxylic acid, methyl ester BBL008941 CHEMBL1531132 L000506 Methyl 17-hydroxyyohimban-16-carboxylate # [ Show all ]
Inchi Key	BLGXFZZNTVWLAY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3
PubChem CID	2866
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86230
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	91.2 nM	PMID7984267	PDSP
Ki	92.0 nM	PMID8380639	PDSP

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