BioLiP

PDB

BioLiP

PDB CCD ID:

T1J

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3 O

InChI:

InChI=1S/C14H13N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-8,18H,9H2,(H2,15,16,17)

InChIKey:

OCDMDLRMBVJKCG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c3(NCc1c(O)cccc1)nc2ccccc2n3
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O
CACTVS 3.385	Oc1ccccc1CNc2[nH]c3ccccc3n2

Name:

2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol

ZINC:

ZINC000000285476

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).