SEQ2FUN

BioLiP

PDB CCD ID: PCR
Number of entries in BioLiP: 25
Chemical formula: C7 H8 O
InChI: InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey: IWDCLRJOBJJRNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)O
ACDLabs 10.04Oc1ccc(cc1)C
CACTVS 3.341Cc1ccc(O)cc1
Name:P-CRESOL
ChEMBL: CHEMBL16645
DrugBank: DB01688
ZINC: ZINC000000897142
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).