SEQ2FUN

BioLiP

PDB CCD ID: D2P
Number of entries in BioLiP: 0
Chemical formula: C3 H6 Cl2 O
InChI: InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1
InChIKey: ZXCYIJGIGSDJQQ-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H](CCl)Cl)O
ACDLabs 10.04ClCC(Cl)CO
OpenEye OEToolkits 1.5.0C(C(CCl)Cl)O
CACTVS 3.341OC[CH](Cl)CCl
CACTVS 3.341OC[C@H](Cl)CCl
Name:(2S)-2,3-DICHLOROPROPAN-1-OL
ChEMBL: CHEMBL503563
ZINC: ZINC000002034404
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).