SEQ2FUN

BioLiP

PDB CCD ID: MSR
Number of entries in BioLiP: 5
Chemical formula: C9 H8 N2 O
InChI: InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H
InChIKey: CYKCUAPYWQDIKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1n2ccnc2)O
CACTVS 3.341Oc1ccc(cc1)n2ccnc2
ACDLabs 10.04n2ccn(c1ccc(O)cc1)c2
Name:4-(1H-IMIDAZOL-1-YL)PHENOL
ChEMBL: CHEMBL275339
DrugBank: DB08214
ZINC: ZINC000000066090
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).