BioLiP

PDB

BioLiP

PDB CCD ID:

NU3

Number of entries in BioLiP:

Chemical formula:

C14 H11 N3 O2

InChI:

InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)

InChIKey:

KOUGHMOSYJCJLE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N
ACDLabs 12.01	O=C(c3cccc2c3nc(c1ccc(O)cc1)n2)N
CACTVS 3.385	NC(=O)c1cccc2[nH]c(nc12)c3ccc(O)cc3

Name:

2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide

ChEMBL:

CHEMBL131719

ZINC:

ZINC000000026019

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).