BioLiP

PDB

BioLiP

PDB CCD ID:

WNJ

Number of entries in BioLiP:

Chemical formula:

C10 H15 N3

InChI:

InChI=1S/C10H15N3/c1-2-5-12-10(3-1)13-8-9-4-6-11-7-9/h1-3,5,9,11H,4,6-8H2,(H,12,13)/t9-/m1/s1

InChIKey:

SHHXEJVQQWFIPM-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C1C[C@H](CN1)CNc2ccccn2
ACDLabs 12.01	C1CNCC1CNc2ccccn2
OpenEye OEToolkits 2.0.7	c1ccnc(c1)NCC2CCNC2
OpenEye OEToolkits 2.0.7	c1ccnc(c1)NC[C@@H]2CCNC2
CACTVS 3.385	C1C[CH](CN1)CNc2ccccn2

Name:

N-{[(3R)-pyrrolidin-3-yl]methyl}pyridin-2-amine

ZINC:

ZINC000057217707

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).