BioLiP

PDB

BioLiP

PDB CCD ID:

BZH

Number of entries in BioLiP:

Chemical formula:

C12 H14 N4 O3

InChI:

InChI=1S/C12H14N4O3/c13-12-15-8-5-4-7(6-9(8)16-12)14-10(17)2-1-3-11(18)19/h4-6H,1-3H2,(H,14,17)(H,18,19)(H3,13,15,16)

InChIKey:

KYOKAWLLGVBQKM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N
CACTVS 3.341	Nc1[nH]c2cc(NC(=O)CCCC(O)=O)ccc2n1
ACDLabs 10.04	O=C(O)CCCC(=O)Nc2cc1c(nc(n1)N)cc2

Name:

5-[(2-AMINO-1H-BENZIMIDAZOL-6-YL)AMINO]-5-OXOPENTANOIC ACID

ZINC:

ZINC000058626692

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).