BioLiP

PDB

BioLiP

PDB CCD ID:

Y7C

Number of entries in BioLiP:

Chemical formula:

C11 H12 Cl N5 O

InChI:

InChI=1S/C11H12ClN5O/c1-2-6-17-11(14-15-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,16,18)

InChIKey:

IBRCUOMIAFDQTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCn1c(nnn1)NC(=O)c2cccc(c2)Cl
CACTVS 3.385	CCCn1nnnc1NC(=O)c2cccc(Cl)c2
ACDLabs 12.01	CCCn1nnnc1NC(=O)c1cccc(Cl)c1

Name:

3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide

ZINC:

ZINC000000578793

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).