SEQ2FUN

BioLiP

PDB CCD ID: HM3
Number of entries in BioLiP: 2
Chemical formula: C6 H6 Cl N O
InChI: InChI=1S/C6H6ClNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
InChIKey: UEAIOHHGRGSGGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1ccnc(c1)CO
CACTVS 3.370OCc1cc(Cl)ccn1
OpenEye OEToolkits 1.7.0c1cnc(cc1Cl)CO
Name:(4-chloropyridin-2-yl)methanol;
4-chloro-2-hydroxymethylpyridine
ChEMBL: CHEMBL1738813
ZINC: ZINC000004352706
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).