BioLiP

PDB

BioLiP

PDB CCD ID:

RNP

Number of entries in BioLiP:

Chemical formula:

C16 H19 N O2

InChI:

InChI=1S/C16H19NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-10,12,14,18H,11H2,1-2H3/b17-10-/t14-/m1/s1

InChIKey:

LLOTXRYLQVWOGC-AYCSXLNKSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(C)N=C[CH](O)COc1cccc2ccccc12
ACDLabs 10.04	N(=C\C(O)COc2cccc1ccccc12)\C(C)C
OpenEye OEToolkits 1.5.0	CC(C)N=CC(COc1cccc2c1cccc2)O
CACTVS 3.341	CC(C)N=C[C@@H](O)COc1cccc2ccccc12
OpenEye OEToolkits 1.5.0	CC(C)N=C[C@H](COc1cccc2c1cccc2)O

Name:

(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL

ZINC:

ZINC000033445765

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).