BioLiP

PDB

BioLiP

PDB CCD ID:

8TZ

Number of entries in BioLiP:

Chemical formula:

C13 H15 F N2 O

InChI:

InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1

InChIKey:

IDFPQEHZYBXIFO-LBPRGKRZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCc1cc(F)ccc1[CH](O)c2[nH]ccn2
CACTVS 3.385	CCCc1cc(F)ccc1[C@H](O)c2[nH]ccn2
OpenEye OEToolkits 2.0.6	CCCc1cc(ccc1[C@@H](c2[nH]ccn2)O)F
OpenEye OEToolkits 2.0.6	CCCc1cc(ccc1C(c2[nH]ccn2)O)F

Name:

(~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol

ChEMBL:

CHEMBL4127372

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).