SEQ2FUN

BioLiP

PDB CCD ID: 2V7
Number of entries in BioLiP: 1
Chemical formula: C14 H16 O3
InChI: InChI=1S/C14H16O3/c1-9(15)14(16)12-4-3-11-8-13(17-2)6-5-10(11)7-12/h3-9,14-16H,1-2H3/t9-,14+/m0/s1
InChIKey: CWZNIRHUMZESFD-LKFCYVNXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@@H]([C@H](c1ccc2cc(ccc2c1)OC)O)O
CACTVS 3.385COc1ccc2cc(ccc2c1)[CH](O)[CH](C)O
CACTVS 3.385COc1ccc2cc(ccc2c1)[C@H](O)[C@H](C)O
OpenEye OEToolkits 1.7.6CC(C(c1ccc2cc(ccc2c1)OC)O)O
ACDLabs 12.01OC(C)C(O)c1ccc2c(c1)ccc(OC)c2
Name:(1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol;
(6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol, bound form
ZINC: ZINC000003844038
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).