histamine


SMILES NCCc1cnc[nH]1
InChIKey NTYJJOPFIAHURM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 111.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Endogenous
Approved drug Yes

Database connections

Structure pdb 7DFL
Ligand site mutations H1 H3 H4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Mouse 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Guide to Pharmacology
β1 ADRB1 Rat Adrenoceptors A pKi 6.5 9.32 10.4 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 9.15 9.15 9.15 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.25 8.61 9.59 PDSP Ki database
5-HT1D A0A4W2F4L6 Hybrid cattle 5-Hydroxytryptamine A pKi 6.85 6.86 6.9 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.07 7.07 7.07 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.66 7.67 7.67 PDSP Ki database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 7.44 7.44 7.44 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Mouse 5-Hydroxytryptamine A pKi 8.6 8.6 8.6 PDSP Ki database
5-HT1B 5HT1B Guinea pig 5-Hydroxytryptamine A pKi 6.64 6.64 6.64 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.1 7.1 7.1 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.18 8.4 8.62 PDSP Ki database
5-HT1A A0A4X1UTF5 Pig 5-Hydroxytryptamine A pKi 7.27 8.06 8.64 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database