BioLiP

PDB

BioLiP

PDB CCD ID:

V7X

Number of entries in BioLiP:

Chemical formula:

C10 H15 N3

InChI:

InChI=1S/C10H15N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-8,11H2

InChIKey:

VMMFMWFKCCKFII-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(nc1)N2CCCC2)CN
ACDLabs 12.01	NCc1cccnc1N1CCCC1
CACTVS 3.385	NCc1cccnc1N2CCCC2

Name:

1-[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine

ZINC:

ZINC000034689287

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).