SEQ2FUN

BioLiP

PDB CCD ID: LNK
Number of entries in BioLiP: 2
Chemical formula: C5 H12
InChI: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCC
Name:PENTANE
ChEMBL: CHEMBL16102
ZINC: ZINC000001698513
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).