BioLiP

PDB

BioLiP

PDB CCD ID:

FP1

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2 O

InChI:

InChI=1S/C7H10N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6,8,10H,1H3/b7-6-

InChIKey:

YDWKOUCMHAMECR-SREVYHEPSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CN1C=CC=CC1=CNO
CACTVS 3.341	CN1C=CC=C/C1=C/NO
OpenEye OEToolkits 1.5.0	CN\1C=CC=C/C1=C/NO
ACDLabs 10.04	ON\C=C1\C=CC=CN1C

Name:

N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine

ZINC:

ZINC000103541787

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).