SEQ2FUN

BioLiP

PDB CCD ID: CP2
Number of entries in BioLiP: 3
Chemical formula: C3 H6 Cl2
InChI: InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m0/s1
InChIKey: KNKRKFALVUDBJE-VKHMYHEASA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04ClCC(Cl)C
CACTVS 3.341C[C@H](Cl)CCl
OpenEye OEToolkits 1.5.0C[C@@H](CCl)Cl
OpenEye OEToolkits 1.5.0CC(CCl)Cl
CACTVS 3.341C[CH](Cl)CCl
Name:1,2-DICHLORO-PROPANE
ZINC: ZINC000001591799
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).