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BioLiP

PDB CCD ID: 3CL
Number of entries in BioLiP: 8
Chemical formula: C3 H7 Cl O
InChI: InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2
InChIKey: LAMUXTNQCICZQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CO)CCl
ACDLabs 10.04ClCCCO
CACTVS 3.341OCCCCl
Name:3-CHLOROPROPANOL
ChEMBL: CHEMBL1230102
ZINC: ZINC000001690062
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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