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BioLiP

PDB CCD ID: POL
Number of entries in BioLiP: 78
Chemical formula: C3 H8 O
InChI: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKey: BDERNNFJNOPAEC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCO
ACDLabs 10.04OCCC
Name:N-PROPANOL;
1-PROPONOL
ChEMBL: CHEMBL14687
DrugBank: DB03175
ZINC: ZINC000000895969
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)(download the PDF file).
  • 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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