BioLiP

PDB

BioLiP

PDB CCD ID:

HMV

Number of entries in BioLiP:

Chemical formula:

C16 H18 N2 O

InChI:

InChI=1S/C16H18N2O/c1-18(2)9-10-19-12-7-8-16-14(11-12)13-5-3-4-6-15(13)17-16/h3-8,11,17H,9-10H2,1-2H3

InChIKey:

IIXIJWXGDDCXBA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN(C)CCOc1ccc2c(c1)c3ccccc3[nH]2
ACDLabs 12.01	c1c(ccc3c1c2ccccc2n3)OCCN(C)C
CACTVS 3.385	CN(C)CCOc1ccc2[nH]c3ccccc3c2c1

Name:

2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine

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).