Ligand

Download

Ligand Name:   baclofen
HET ID:   2C0 PubChem:   44602, 6918881
DrugBank:   DB08891 ChEMBL:   CHEMBL301742
Canonical SMILES:   NC[C@@H](c1ccc(cc1)Cl)CC(=O)O
Standard InChI:   InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Molecular Formula:   C10H12ClNO2 Mol. Weight:   213.66078 Heavy Atoms:   14
Charge:   0 Is Chiral:   True logP:   2.5573
HBD:   2 HBA:   3 TPSA:   63.32
#Bonds:   15 #Rotatable Bonds:   4 Shape Complexity:   0.3
Stereocomplexity:   0.1
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Gamma-aminobutyric acid type B receptor subunit 1 Q9UBS5 (GABR1_HUMAN) Homo sapiens 7C7Q
-
-
SHOW