BioLiP

PDB

BioLiP

PDB CCD ID:

Y0H

Number of entries in BioLiP:

Chemical formula:

C10 H10 Cl N3

InChI:

InChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3

InChIKey:

ZSFCXTGPGSAWFT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1c(cc(n1)c2ccc(cc2)Cl)N
ACDLabs 12.01	Cn1nc(cc1N)c1ccc(Cl)cc1
CACTVS 3.385	Cn1nc(cc1N)c2ccc(Cl)cc2

Name:

3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine

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).