BioLiP

PDB

BioLiP

PDB CCD ID:

BQ5

Number of entries in BioLiP:

Chemical formula:

C13 H15 N3

InChI:

InChI=1S/C13H15N3/c14-9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2

InChIKey:

AITOIMRCVCWDAG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)n2c3c(c(n2)CN)CCC3
CACTVS 3.385	NCc1nn(c2ccccc2)c3CCCc13

Name:

(1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine

ZINC:

ZINC000036379534

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).