SEQ2FUN

BioLiP

PDB CCD ID: 3KP
Number of entries in BioLiP: 1
Chemical formula: C3 H5 Cl3
InChI: InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
InChIKey: CFXQEHVMCRXUSD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(C(CCl)Cl)Cl
ACDLabs 12.01
CACTVS 3.370		ClCC(Cl)CCl
Name:1,2,3-trichloropropane
ChEMBL: CHEMBL346933
ZINC: ZINC000001667602
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).