BioLiP

PDB

BioLiP

PDB CCD ID:

LUY

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3

InChI:

InChI=1S/C15H15N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)

InChIKey:

OWETVOGOOABRTJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CCNc2[nH]c3ccccc3n2
CACTVS 3.385	C(Cc1ccccc1)Nc2[nH]c3ccccc3n2

Name:

~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine

ZINC:

ZINC000000513006

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).