Ligand
Ligand Name:   SC1475
Ligand Type:   non-polymer
Ligand ID:   COVPDB1278 PubChem:   90472369
Synonym(s):  
  •   (?)-3,4-dimethoxydalbergione
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COC1=C(OC)C(=O)C(=CC1=O)[C@@H](C=C)c2ccccc2
Standard InChI:   InChI=1S/C17H16O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12H,1H2,2-3H3/t12-/m0/s1
Molecular Formula:   C17H16O4 Mol. Weight:   284.10486 logP:   2.5388
HBD:   0 HBA:   4
#Rotatable Bonds:   5 TPSA:   52.6

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Protein S100-B P02638 (S100B_BOVIN) Bos taurus (Bovine) 4PE4 REV
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