BioLiP

PDB

BioLiP

PDB CCD ID:

6SN

Number of entries in BioLiP:

Chemical formula:

C9 H7 Cl2 N3

InChI:

InChI=1S/C9H7Cl2N3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)

InChIKey:

YKEDJVVQHWJYBR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cc([nH]n1)c2ccc(Cl)c(Cl)c2
OpenEye OEToolkits 2.0.5	c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl

Name:

5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine

ZINC:

ZINC000001403937

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).