BioLiP

PDB

BioLiP

PDB CCD ID:

JCZ

Number of entries in BioLiP:

Chemical formula:

C11 H10 N4

InChI:

InChI=1S/C11H10N4/c12-11-6-10(14-15-11)8-2-1-7-3-4-13-9(7)5-8/h1-6,13H,(H3,12,14,15)

InChIKey:

WGNBSWSUVHVDSW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N
CACTVS 3.385	Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2

Name:

3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine

ChEMBL:

CHEMBL4475938

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).