BioLiP

PDB

BioLiP

PDB CCD ID:

HAN

Number of entries in BioLiP:

Chemical formula:

C14 H19 N3 O2

InChI:

InChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19)

InChIKey:

ONFQTORHROMJSV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Cc1cc2nc(N)n(CCCCC(O)=O)c2cc1C
ACDLabs 10.04	O=C(O)CCCCn1c2cc(c(cc2nc1N)C)C
OpenEye OEToolkits 1.5.0	Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O

Name:

2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID

ZINC:

ZINC000016051672

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).