BioLiP

PDB

BioLiP

PDB CCD ID:

278

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2

InChI:

InChI=1S/C6H10N2/c1-8-4-2-3-6(8)5-7/h2-4H,5,7H2,1H3

InChIKey:

GGCBARJYVAPZJQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	Cn1cccc1CN
ACDLabs 10.04	NCc1cccn1C

Name:

1-(1-methyl-1H-pyrrol-2-yl)methanamine

ZINC:

ZINC000000158567

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).