BioLiP

PDB

BioLiP

PDB CCD ID:

FY6

Number of entries in BioLiP:

Chemical formula:

C14 H17 Cl N2 O

InChI:

InChI=1S/C14H17ClN2O/c1-11(18)14-16-8-10-17(14)9-2-3-12-4-6-13(15)7-5-12/h4-8,10-11,18H,2-3,9H2,1H3/t11-/m0/s1

InChIKey:

GGDYLOWWOJETKU-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](O)c1nccn1CCCc2ccc(Cl)cc2
OpenEye OEToolkits 2.0.7	C[C@@H](c1nccn1CCCc2ccc(cc2)Cl)O
OpenEye OEToolkits 2.0.7	CC(c1nccn1CCCc2ccc(cc2)Cl)O
CACTVS 3.385	C[CH](O)c1nccn1CCCc2ccc(Cl)cc2

Name:

(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol

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).