BioLiP

PDB

BioLiP

PDB CCD ID:

7WA

Number of entries in BioLiP:

Chemical formula:

C7 H7 N3

InChI:

InChI=1S/C7H7N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,8H2,(H,9,10)

InChIKey:

NZJKEQFPRPAEPO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cccc2[nH]cnc12
ACDLabs 12.01	c21c(cccc1N)ncn2
OpenEye OEToolkits 2.0.6	c1cc(c2c(c1)[nH]cn2)N

Name:

1H-benzimidazol-4-amine

ZINC:

ZINC000000112552

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).